psi4-data 1:0.3-5 / usr / share / psi / efpfrag / acetone.efp

          RUNTYP=MAKEFP EFFECTIVE FRAGMENT POTENTIAL DATA FOLLOWS...
          FRAGNAMEEFP GENERATED AT Wed Jul 18 13:43:09 2012
 $ACETONE
EFP DATA FOR FRAGNAME SCFTYP=RHF     ... GENERATED WITH BASIS SET=XXX
 COORDINATES (BOHR)
A01C      -2.4294282434  -1.3014163116   0.0000202330  12.0000000  6.0
A02C       0.0000005889   0.2007309188   0.0000036495  12.0000000  6.0
A03C       2.4294414652  -1.3013965255  -0.0000299948  12.0000000  6.0
A04O      -0.0000133320   2.4410322203   0.0000005384  15.9949100  8.0
A05H      -4.0316425852  -0.0397178902  -0.0010214187   1.0078250  1.0
A06H      -2.5050554239  -2.5144855999   1.6507232261   1.0078250  1.0
A07H      -2.5042325604  -2.5157204777  -1.6498459995   1.0078250  1.0
A08H       4.0316412206  -0.0396792100  -0.0008482494   1.0078250  1.0
A09H       2.5041643179  -2.5158593587  -1.6497573182   1.0078250  1.0
A10H       2.5051721775  -2.5143014631   1.6508139933   1.0078250  1.0
BO21      -1.2147138273  -0.5503426964   0.0000119413   0.0000000  0.0
BO32       1.2147210270  -0.5503328033  -0.0000131727   0.0000000  0.0
BO42      -0.0000063715   1.3208815696   0.0000020939   0.0000000  0.0
BO51      -3.2305354143  -0.6705671009  -0.0005005928   0.0000000  0.0
BO61      -2.4672418336  -1.9079509558   0.8253717296   0.0000000  0.0
BO71      -2.4668304019  -1.9085683946  -0.8249128832   0.0000000  0.0
BO83       3.2305413429  -0.6705378677  -0.0004391221   0.0000000  0.0
BO93       2.4668028915  -1.9086279421  -0.8248936565   0.0000000  0.0
BO103      2.4673068214  -1.9078489943   0.8253919992   0.0000000  0.0
 STOP
 MONOPOLES 
A01C      -5.5277516459   6.00000
A02C      -4.9871378515   6.00000
A03C      -5.5277559030   6.00000
A04O      -8.1336590528   8.00000
A05H      -0.5818791164   1.00000
A06H      -0.5860419097   1.00000
A07H      -0.5860863624   1.00000
A08H      -0.5818791657   1.00000
A09H      -0.5860719642   1.00000
A10H      -0.5860554219   1.00000
BO21       0.0933373262   0.00000
BO32       0.0933460682   0.00000
BO42      -0.8552206187   0.00000
BO51      -0.6254800827   0.00000
BO61      -0.6041823890   0.00000
BO71      -0.5939093594   0.00000
BO83      -0.6254802002   0.00000
BO93      -0.6041994915   0.00000
BO103     -0.5938928595   0.00000
 STOP
 DIPOLES 
A01C       -0.4473578365    0.0772587686   -0.0000803095
A02C       -0.0000056075    0.7890006692   -0.0001082303
A03C        0.4473623446    0.0772599114   -0.0000865061
A04O        0.0000018198   -0.2881101826   -0.0000273285
A05H       -0.0305059805    0.0307252682   -0.0000288626
A06H       -0.0016938209   -0.0278345008    0.0405920321
A07H       -0.0016753749   -0.0278630938   -0.0405772335
A08H        0.0305056286    0.0307257115   -0.0000176625
A09H        0.0016706713   -0.0278683622   -0.0405722714
A10H        0.0016990332   -0.0278290951    0.0405970833
BO21       -0.0808157304   -0.3512812986    0.0001284399
BO32        0.0808185051   -0.3512827651    0.0001197327
BO42       -0.0000012967   -0.3003251042    0.0000159872
BO51        0.3151773586   -0.2092945003    0.0001570376
BO61       -0.0161219305    0.2293509617   -0.3185185991
BO71       -0.0167269788    0.2234645626    0.3268234168
BO83       -0.3151753443   -0.2092976178    0.0001754494
BO93        0.0162834359    0.2296215257    0.3183131617
BO103       0.0165564288    0.2231863344   -0.3270233810
 STOP
 QUADRUPOLES 
A01C       -4.5100948980   -4.0800676494   -4.1936364219   -0.0383375477 >
           -0.0000225175    0.0000259663
A02C       -4.2729062609   -3.3304459674   -2.9340655287   -0.0000007789 >
            0.0000162570    0.0000873490
A03C       -4.5101098674   -4.0800730461   -4.1936429378    0.0383374879 >
            0.0000507594    0.0000426113
A04O       -4.8224832470   -3.8266491901   -4.0160754019   -0.0000065048 >
            0.0000034947    0.0000128565
A05H       -0.3329226174   -0.3357224268   -0.3343162601    0.0001789534 >
           -0.0000019929    0.0000004554
A06H       -0.3443877031   -0.3485456681   -0.3505101089    0.0001416512 >
            0.0002006511    0.0015746163
A07H       -0.3444428103   -0.3486005077   -0.3505615921    0.0001423588 >
           -0.0001984885   -0.0015753127
A08H       -0.3329227199   -0.3357225585   -0.3343163522   -0.0001789130 >
            0.0000013207   -0.0000000717
A09H       -0.3444230832   -0.3485812385   -0.3505412325   -0.0001427168 >
            0.0001980664   -0.0015757327
A10H       -0.3444062515   -0.3485637444   -0.3505292878   -0.0001412180 >
           -0.0002011038    0.0015742107
BO21        0.7985587302    1.1995169193    1.0047680442   -0.0351817632 >
            0.0000277097   -0.0000529380
BO32        0.7985733062    1.1995286035    1.0047803845    0.0351785250 >
            0.0000029172   -0.0000307708
BO42        0.1417873071   -0.3212666068   -0.8679780545    0.0000042475 >
           -0.0000171274    0.0000190417
BO51       -0.5348591275   -0.5100034060   -0.4978679822    0.0577033751 >
           -0.0000363087    0.0000288114
BO61       -0.4408358698   -0.4907796344   -0.5224837643   -0.0043928914 >
           -0.0036147812    0.0548481420
BO71       -0.4191520229   -0.4654228725   -0.4936121913   -0.0041352290 >
            0.0033150816   -0.0599487718
BO83       -0.5348584276   -0.5100050664   -0.4978683600   -0.0577036771 >
            0.0000283510    0.0000234930
BO93       -0.4408715504   -0.4909233130   -0.5224465160    0.0043731569 >
           -0.0036552347   -0.0548678446
BO103      -0.4191170622   -0.4652700119   -0.4936577422    0.0041583139 >
            0.0032776401    0.0599318469
 STOP
 OCTUPOLES  
A01C       -3.4278282274    0.4389508262   -0.0010083635   -0.2751257841 >
           -0.0001269736   -0.9740829243    0.0000592349   -1.0220245120 >
            0.4621020127   -0.0001694916
A02C       -0.0000253960    2.9298794380   -0.0000649076    1.7069559729 >
           -0.0000620263   -0.0000002283   -0.0000787376   -0.0000046058 >
            0.9559840612    0.0000000140
A03C        3.4278746114    0.4389586849   -0.0009707685   -0.2751233250 >
           -0.0001165531    0.9740848868    0.0001358296    1.0220299636 >
            0.4621049960    0.0001819588
A04O        0.0000006451   -0.4447369464   -0.0001413443   -0.0739287127 >
           -0.0000572009    0.0000015486   -0.0000608091    0.0000001645 >
           -0.0645950998    0.0000068226
A05H       -0.0186168658    0.0344936377   -0.0000393014    0.0104034887 >
           -0.0000137962   -0.0069167887   -0.0000133718   -0.0065043175 >
            0.0115970285   -0.0000005210
A06H        0.0359147794   -0.0334273490    0.0569559313   -0.0111443703 >
            0.0185565731    0.0102032067    0.0190526028    0.0100311120 >
           -0.0114135803    0.0000825464
A07H        0.0359343909   -0.0334690465   -0.0569450393   -0.0111582532 >
           -0.0185523060    0.0102127991   -0.0190490889    0.0100411270 >
           -0.0114273516   -0.0000823179
A08H        0.0186166148    0.0344940705   -0.0000221705    0.0104036032 >
           -0.0000080425    0.0069166742   -0.0000076496    0.0065042147 >
            0.0115971692    0.0000005970
A09H       -0.0359388661   -0.0334735501   -0.0569351972   -0.0111593863 >
           -0.0185492120   -0.0102145991   -0.0190459584   -0.0100429832 >
           -0.0114288327    0.0000822957
A10H       -0.0359095368   -0.0334232531    0.0569657822   -0.0111434672 >
            0.0185596722   -0.0102011598    0.0190557351   -0.0100290009 >
           -0.0114122368   -0.0000825778
BO21       -0.8248571213   -1.9084102725    0.0006635399   -0.8286558186 >
            0.0003467445   -0.2513855794    0.0002497357   -0.2946076907 >
           -0.6408451559    0.0000022450
BO32        0.8248691346   -1.9084129249    0.0003535132   -0.8286564129 >
            0.0002049321    0.2513828509    0.0001027160    0.2946107647 >
           -0.6408451662   -0.0000317685
BO42       -0.0000142919   -1.3671439327    0.0000584135   -0.3086348223 >
           -0.0000387948   -0.0000010865    0.0000356385   -0.0000035066 >
           -0.2987308078    0.0000100742
BO51        0.9993872575   -0.5525072326    0.0003494884   -0.2026322518 >
            0.0001349786    0.3426797146    0.0001302915    0.3219196012 >
           -0.1769504751   -0.0000166183
BO61       -0.1045403075    0.6551369414   -1.0142819799    0.2155135736 >
           -0.3236339058   -0.0375287770   -0.3423913445   -0.0332968989 >
            0.2425811197    0.0013994556
BO71       -0.1078035419    0.6142641683    1.0735941406    0.2026598283 >
            0.3413827719   -0.0387851450    0.3632950175   -0.0346955217 >
            0.2254630809   -0.0012050290
BO83       -0.9993814569   -0.5525176687    0.0005028658   -0.2026354321 >
            0.0001866295   -0.3426784464    0.0001813261   -0.3219179345 >
           -0.1769537885    0.0000161503
BO93        0.1050602426    0.6560108519    1.0135722987    0.2157848889 >
            0.3234100909    0.0377181653    0.3422122559    0.0334972921 >
            0.2428558872    0.0014080807
BO103       0.1072404280    0.6133381249   -1.0742577816    0.2023738923 >
           -0.3415942816    0.0385798601   -0.3634674525    0.0344766468 >
            0.2251732747   -0.0011982701
 STOP
 POLARIZABLE POINTS
CT1  -0.0000158182   1.6260762012  -0.4722492928
    1.2914600226    5.0430074457    2.1591555295   -0.0000254523 >
    0.0000242278    0.6626613984   -0.0000120378   -0.0000702947 >
    0.3802512557
CT2   2.4511194914  -2.1072159918  -1.1136995047
    3.0212257949    3.8553973220    4.5190501102   -0.7528685307 >
   -0.5738785498    1.8668961347   -0.6338440437   -0.2049856314 >
    1.6240982558
CT3  -2.4516777379  -2.1062726041   1.1143333784
    3.0218283180    3.8530356379    4.5218138119    0.7536620277 >
   -0.5755922394   -1.8662921939    0.6349376351   -0.2064098214 >
   -1.6233744317
CT4  -0.5429614834   2.6747839834   0.0000118309
    2.1045559752    2.2871845472    0.9708759099   -0.8116728617 >
    0.0000008807    0.0000204662   -1.2373595236    0.0000194765 >
    0.0001865563
CT5  -1.2267095849  -0.5837402271   0.0000164252
    5.6006838224    2.8480213787    1.4164859903    1.6418415255 >
    0.0000189096   -0.0000297908    1.6578679162   -0.0005290811 >
   -0.0001083810
CT6   3.5067634932  -0.4587363108  -0.0006159504
    5.2694392041    3.3081024713    2.2374000388    1.6015654520 >
   -0.0014216939   -0.0007863697    1.2241967785   -0.0008596586 >
   -0.0007216996
CT7   2.4517294933  -2.1061588939   1.1143629318
    3.0219627019    3.8529860360    4.5228193336   -0.7537521518 >
    0.5757726963   -1.8664211437   -0.6350464440    0.2064782606 >
   -1.6238402906
CT8   1.2267169036  -0.5837296522  -0.0000213590
    5.6007090485    2.8479920562    1.4164852409   -1.6418190318 >
    0.0000115234    0.0000106252   -1.6578387651   -0.0000533596 >
    0.0000777162
CT9  -2.4511301203  -2.1071448641  -1.1137283158
    3.0213411397    3.8553815971    4.5200640083    0.7529467440 >
    0.5740274266    1.8670395999    0.6339391068    0.2050232156 >
    1.6245775557
CT10  -3.5067595296  -0.4587679932  -0.0006494687
    5.2694695409    3.3080715044    2.2374001711   -1.6015443992 >
    0.0015886436   -0.0008813771   -1.2241784854    0.0013622827 >
   -0.0010598391
CT11  -0.0000000857   1.6260735829   0.4722473363
    1.2913988301    5.0432609500    2.1589665555   -0.0000213592 >
    0.0000340461   -0.6627436435   -0.0000339553   -0.0000635173 >
   -0.3793215209
CT12   0.5429319001   2.6747914585  -0.0000068731
    2.1045322077    2.2872091725    0.9708756435    0.8116694224 >
   -0.0000170938   -0.0000237238    1.2373613782   -0.0002032490 >
    0.0001334793
 STOP
 DYNAMIC POLARIZABLE POINTS
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 0.002792I A.U.
    1.2918969645    5.0425282303    2.1602093203   -0.0000261240 >
    0.0000132597    0.6627065009   -0.0000120421    0.0000266712 >
    0.3793764203
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    3.0213855507    3.8553318198    4.5187749974   -0.7531796454 >
   -0.5741336881    1.8671874495   -0.6337168774   -0.2047535520 >
    1.6235372699
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    3.0219920387    3.8529693943    4.5215255850    0.7539760933 >
   -0.5758431611   -1.8665732356    0.6348115288   -0.2060412277 >
   -1.6227850803
CT  4  -0.5429614834   2.6747839834   0.0000118309
    2.1044820847    2.2871292438    0.9706865020   -0.8118176970 >
   -0.0000198453    0.0000239617   -1.2372087375   -0.0000095560 >
    0.0000463734
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    5.6007110564    2.8476200358    1.4159121863    1.6424593439 >
   -0.0000049264   -0.0000227880    1.6574758034   -0.0000107704 >
    0.0000034401
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    5.2690889686    3.3086909734    2.2369510188    1.6012354330 >
   -0.0014311690   -0.0007807274    1.2244139598   -0.0011397248 >
   -0.0008819035
CT  7   2.4517294933  -2.1061588939   1.1143629318
    3.0221294504    3.8529185599    4.5220637930   -0.7540675590 >
    0.5760081532   -1.8666997846   -0.6349203065    0.2061638649 >
   -1.6228571382
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    5.6007383104    2.8475912217    1.4159114317   -1.6424368705 >
    0.0000109663    0.0000194627   -1.6574483381    0.0001068372 >
    0.0000013629
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    3.0215010665    3.8553167251    4.5193218456    0.7532560533 >
    0.5742639158    1.8673307810    0.6338116694    0.2048456227 >
    1.6236223614
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    5.2691164323    3.3086592763    2.2369508891   -1.6012133261 >
    0.0015815206   -0.0008771776   -1.2243946750    0.0012341763 >
   -0.0009402059
CT 11  -0.0000000857   1.6260735829   0.4722473363
    1.2918247809    5.0427805926    2.1602019332   -0.0000142688 >
    0.0000223668   -0.6627754747   -0.0000343735    0.0000334869 >
   -0.3796350699
CT 12   0.5429319001   2.6747914585  -0.0000068731
    2.1044577228    2.2871537689    0.9706862104    0.8118163842 >
   -0.0000110687   -0.0000186210    1.2372102084    0.0000002792 >
    0.0000326277
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 0.015107I A.U.
    1.2914061806    5.0355767059    2.1591517333   -0.0000260702 >
    0.0000132590    0.6618768574   -0.0000120110    0.0000266329 >
    0.3792727039
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    3.0196880862    3.8525629287    4.5156893080   -0.7522028594 >
   -0.5733520578    1.8651979274   -0.6326425928   -0.2045456835 >
    1.6220120371
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    3.0202935447    3.8502023701    4.5184371835    0.7529985094 >
   -0.5750595258   -1.8645837874    0.6337355530   -0.2058320613 >
   -1.6212604242
CT  4  -0.5429614834   2.6747839834   0.0000118309
    2.1028735275    2.2861807896    0.9704553459   -0.8109732279 >
   -0.0000198300    0.0000239661   -1.2359178609   -0.0000095746 >
    0.0000463001
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    5.5956992925    2.8460107392    1.4153509726    1.6409281358 >
   -0.0000050465   -0.0000227734    1.6558759587   -0.0000107408 >
    0.0000034173
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    5.2651649853    3.3070844102    2.2360202671    1.5996164587 >
   -0.0014296693   -0.0007800398    1.2233459812   -0.0011387038 >
   -0.0008810202
CT  7   2.4517294933  -2.1061588939   1.1143629318
    3.0204307359    3.8501514093    4.5189747148   -0.7530898741 >
    0.5752243457   -1.8647100007   -0.6338441332    0.2059545488 >
   -1.6213322696
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    5.5957265232    2.8459819556    1.4153501367   -1.6409056938 >
    0.0000110603    0.0000194152   -1.6558485340    0.0001066689 >
    0.0000013531
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    3.0198034138    3.8525476501    4.5162354626    0.7522791822 >
    0.5734821472    1.8653408960    0.6327372007    0.2046376632 >
    1.6220969281
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    5.2651924266    3.3070527441    2.2360201334   -1.5995943787 >
    0.0015798569   -0.0008764389   -1.2233267180    0.0012331419 >
   -0.0009393972
CT 11  -0.0000000857   1.6260735829   0.4722473363
    1.2913340594    5.0358286907    2.1591443019   -0.0000142613 >
    0.0000223576   -0.6619459181   -0.0000343252    0.0000334572 >
   -0.3795304727
CT 12   0.5429319001   2.6747914585  -0.0000068731
    2.1028491883    2.2862052870    0.9704549596    0.8109719070 >
   -0.0000110647   -0.0000185118    1.2359193126    0.0000002676 >
    0.0000325508
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 0.039002I A.U.
    1.2885376130    4.9952504666    2.1529742445   -0.0000256142 >
    0.0000132605    0.6570569000   -0.0000118453    0.0000264462 >
    0.3786578938
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    3.0097782485    3.8364338118    4.4976952150   -0.7465250294 >
   -0.5688147832    1.8536196385   -0.6264121654   -0.2033365238 >
    1.6131269201
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    3.0103777035    3.8340841774    4.5004272910    0.7473160007 >
   -0.5705105817   -1.8530059633    0.6274953411   -0.2046152550 >
   -1.6123785769
CT  4  -0.5429614834   2.6747839834   0.0000118309
    2.0935481888    2.2806290575    0.9691035039   -0.8060712754 >
   -0.0000196246    0.0000241502   -1.2284106395   -0.0000096789 >
    0.0000458776
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    5.5665413656    2.8366252744    1.4120781649    1.6320278689 >
   -0.0000057281   -0.0000226256    1.6465701028   -0.0000105707 >
    0.0000032863
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    5.2422905209    3.2976886713    2.2305802117    1.5901861609 >
   -0.0014209357   -0.0007760206    1.2171165268   -0.0011327554 >
   -0.0008758748
CT  7   2.4517294933  -2.1061588939   1.1143629318
    3.0105135867    3.8340325304    4.5009608909   -0.7474067526 >
    0.5706743972   -1.8531302352   -0.6276028159    0.2047369648 >
   -1.6124492864
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    5.5665684601    2.8365966686    1.4120773775   -1.6320056089 >
    0.0000115092    0.0000189877   -1.6465429131    0.0001056957 >
    0.0000012964
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    3.0098924558    3.8364175135    4.4982373286    0.7466008326 >
    0.5689440654    1.8537605080    0.6265057464    0.2034278815 >
    1.6132105489
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    5.2423178315    3.2976571856    2.2305800817   -1.5901642375 >
    0.0015701721   -0.0008721308   -1.2170973888    0.0012271070 >
   -0.0009346770
CT 11  -0.0000000857   1.6260735829   0.4722473363
    1.2884658703    4.9954999626    2.1529665617   -0.0000143560 >
    0.0000223084   -0.6571264424   -0.0000340306    0.0000332492 >
   -0.3789106022
CT 12   0.5429319001   2.6747914585  -0.0000068731
    2.0935239812    2.2806533944    0.9691031535    0.8060699071 >
   -0.0000110845   -0.0000179642    1.2284119810    0.0000001997 >
    0.0000321091
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 0.077996I A.U.
    1.2785532888    4.8588225869    2.1315271030   -0.0000240853 >
    0.0000132628    0.6406589195   -0.0000112919    0.0000258090 >
    0.3764072067
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    2.9754396884    3.7810058347    4.4356076660   -0.7271672030 >
   -0.5534206564    1.8139750831   -0.6053552559   -0.1992029542 >
    1.5825901262
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    2.9760186730    3.7786940526    4.4382855109    0.7279419718 >
   -0.5550765481   -1.8133634537    0.6064053129   -0.2004554720 >
   -1.5818531078
CT  4  -0.5429614834   2.6747839834   0.0000118309
    2.0620601947    2.2612030121    0.9643913699   -0.7894422608 >
   -0.0000188480    0.0000247732   -1.2027709074   -0.0000100039 >
    0.0000444440
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    5.4668018557    2.8042272293    1.4007854768    1.6016817188 >
   -0.0000079044   -0.0000221337    1.6147638551   -0.0000100056 >
    0.0000028402
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    5.1634680391    3.2649193127    2.2116464576    1.5577880608 >
   -0.0013910000   -0.0007621303    1.1956052768   -0.0011123083 >
   -0.0008582089
CT  7   2.4517294933  -2.1061588939   1.1143629318
    2.9761500991    3.7786401689    4.4388056853   -0.7280306126 >
    0.5552368883   -1.8134812021   -0.6065090689    0.2005745169 >
   -1.5819199833
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    5.4668284839    2.8041992264    1.4007848499   -1.6016600764 >
    0.0000129463    0.0000175420   -1.6147374612    0.0001023934 >
    0.0000010986
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    2.9755500756    3.7809861716    4.4361359847    0.7272412137 >
    0.5535471428    1.8141088977    0.6054453862    0.1992921841 >
    1.5826694930
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    5.1634948959    3.2648884472    2.2116463399   -1.5577666712 >
    0.0015369580   -0.0008572264   -1.1955865669    0.0012062710 >
   -0.0009183672
CT 11  -0.0000000857   1.6260735829   0.4722473363
    1.2784828587    4.8590636399    2.1315186076   -0.0000146600 >
    0.0000221369   -0.6407299429   -0.0000330303    0.0000325372 >
   -0.3766430846
CT 12   0.5429319001   2.6747914585  -0.0000068731
    2.0620364358    2.2612268048    0.9643911410    0.7894407400 >
   -0.0000112314   -0.0000161514    1.2027718896   -0.0000000301 >
    0.0000306208
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 0.138651I A.U.
    1.2509353354    4.5105547701    2.0726708528   -0.0000202988 >
    0.0000132438    0.5981310503   -0.0000099209    0.0000241383 >
    0.3693803822
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    2.8816798654    3.6330464785    4.2680709011   -0.6766216013 >
   -0.5136980148    1.7093022745   -0.5517703017   -0.1883346705 >
    1.5011261279
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    2.8822056560    3.6308378722    4.2706045854    0.6773525841 >
   -0.5152489338   -1.7086993189    0.5527356910   -0.1895177516 >
   -1.5004199850
CT  4  -0.5429614834   2.6747839834   0.0000118309
    1.9817726173    2.2067648169    0.9512878373   -0.7465580078 >
   -0.0000168427    0.0000262707   -1.1355200208   -0.0000106405 >
    0.0000407581
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    5.2039217184    2.7166546339    1.3702592316    1.5222981314 >
   -0.0000130003   -0.0000209862    1.5311536151   -0.0000086418 >
    0.0000016841
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    4.9515502511    3.1739020146    2.1592857538    1.4714565613 >
   -0.0013117332   -0.0007245487    1.1375113441   -0.0010577271 >
   -0.0008112214
CT  7   2.4517294933  -2.1061588939   1.1143629318
    2.8823254841    3.6307788945    4.2710895903   -0.6774355703 >
    0.5153998434   -1.7088007575   -0.5528300771    0.1896297357 >
   -1.5004771418
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    5.2039471131    2.7166281869    1.3702589179   -1.5222780794 >
    0.0000164836    0.0000139377   -1.5311292603    0.0000938906 >
    0.0000005593
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    2.8817802974    3.6330188390    4.2685631205    0.6766907950 >
    0.5138168941    1.7094184369    0.5518517692    0.1884183107 >
    1.5011947125
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    4.9515758680    3.1738728057    2.1592856608   -1.4714365647 >
    0.0014488938   -0.0008167748   -1.1374937623    0.0011499879 >
   -0.0008742222
CT 11  -0.0000000857   1.6260735829   0.4722473363
    1.2508683545    4.5107741588    2.0726605584   -0.0000153099 >
    0.0000216566   -0.5982047924   -0.0000304618    0.0000306635 >
   -0.3695754015
CT 12   0.5429319001   2.6747914585  -0.0000068731
    1.9817500340    2.2067872098    0.9512878308    0.7465561510 >
   -0.0000116174   -0.0000117517    1.1355201790   -0.0000006177 >
    0.0000268683
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 0.233223I A.U.
    1.1842966095    3.8123715356    1.9337945334   -0.0000133049 >
    0.0000130342    0.5097213036   -0.0000073602    0.0000206087 >
    0.3487771566
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    2.6625453063    3.3034459051    3.8867242394   -0.5696505949 >
   -0.4311721252    1.4828558313   -0.4453139011   -0.1649908266 >
    1.3208227158
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    2.6629607728    3.3014755757    3.8889413726    0.5702834660 >
   -0.4324980362   -1.4822866233    0.4461089984   -0.1660224981 >
   -1.3201881527
CT  4  -0.5429614834   2.6747839834   0.0000118309
    1.8176879130    2.0726601735    0.9190686612   -0.6575384003 >
   -0.0000129788    0.0000285301   -0.9917608649   -0.0000110802 >
    0.0000332892
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    4.6345884593    2.5159532794    1.2997834107    1.3520501535 >
   -0.0000210330   -0.0000191229    1.3513508589   -0.0000062789 >
   -0.0000006657
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    4.4731249237    2.9539515210    2.0330787774    1.2810207703 >
   -0.0011390388   -0.0006392467    1.0059764935   -0.0009366229 >
   -0.0007080079
CT  7   2.4517294933  -2.1061588939   1.1143629318
    2.6630564988    3.3014094925    3.8893518107   -0.5703539527 >
    0.4326274808   -1.4823572568   -0.4461851394    0.1661191522 >
   -1.3202264160
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    4.6346111534    2.5159300654    1.2997834671   -1.3520333635 >
    0.0000227072    0.0000073261   -1.3513306443    0.0000765467 >
   -0.0000006141
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    2.6626250121    3.3034053644    3.8871400919    0.5697090796 >
    0.4312736002    1.4829385297    0.4453786531    0.1650624963 >
    1.3208703406
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    4.4731476670    2.9539259842    2.0330787121   -1.2810037190 >
    0.0012566560   -0.0007242794   -1.0059613460    0.0010220424 >
   -0.0007735792
CT 11  -0.0000000857   1.6260735829   0.4722473363
    1.1842369831    3.8125472942    1.9337819396   -0.0000159830 >
    0.0000204396   -0.5097957049   -0.0000252634    0.0000266471 >
   -0.3489003123
CT 12   0.5429319001   2.6747914585  -0.0000068731
    1.8176678493    2.0726796877    0.9190688699    0.6575361082 >
   -0.0000121530   -0.0000039805    0.9917597772   -0.0000017992 >
    0.0000195932
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 0.385897I A.U.
    1.0435273969    2.7699605597    1.6557534937   -0.0000049043 >
    0.0000119129    0.3689777907   -0.0000040873    0.0000149588 >
    0.2963358986
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    2.2293852102    2.6994663784    3.1678660436   -0.3939596221 >
   -0.2973315355    1.0962600212   -0.2904366337   -0.1251640940 >
    1.0006876074
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    2.2296317937    2.6979449615    3.1695291244    0.3944213434 >
   -0.2982817404   -1.0957885852    0.2909765932   -0.1259334389 >
   -1.0001902849
CT  4  -0.5429614834   2.6747839834   0.0000118309
    1.5447552198    1.7855842228    0.8467114006   -0.5116687529 >
   -0.0000080794    0.0000285221   -0.7488050856   -0.0000097256 >
    0.0000221734
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    3.6443472226    2.1280812251    1.1579586730    1.0558770103 >
   -0.0000260962   -0.0000165948    1.0426338985   -0.0000037979 >
   -0.0000038722
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    3.5854708588    2.4986925333    1.7674698719    0.9467923574 >
   -0.0008408636   -0.0004838594    0.7663193773   -0.0007196122 >
   -0.0005278111
CT  7   2.4517294933  -2.1061588939   1.1143629318
    2.2296905053    2.6978785476    3.1698179660   -0.3944704252 >
    0.2983725534   -1.0958201728   -0.2910270130    0.1260039786 >
   -1.0002035647
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    3.6443650953    2.1280633338    1.1579589515   -1.0558653233 >
    0.0000277457   -0.0000001118   -1.0426200468    0.0000502627 >
   -0.0000022385
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    2.2294331611    2.6994168416    3.1681578597    0.3939996851 >
    0.2974015520    1.0962997007    0.2904782989    0.1252157307 >
    1.0007072293
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    3.5854881962    2.4986734912    1.7674698067   -0.9467801716 >
    0.0009245420   -0.0005533726   -0.7663083832    0.0007849823 >
   -0.0005873205
CT 11  -0.0000000857   1.6260735829   0.4722473363
    1.0434802424    2.7700725072    1.6557411566   -0.0000149907 >
    0.0000175762   -0.3690408995   -0.0000174494    0.0000199656 >
   -0.2963809241
CT 12   0.5429319001   2.6747914585  -0.0000068731
    1.5447395013    1.7855991311    0.8467116628    0.5116664614 >
   -0.0000117037    0.0000041479    0.7488032005   -0.0000034632 >
    0.0000096955
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 0.649114I A.U.
    0.7985713924    1.6690933416    1.2161292633    0.0000000596 >
    0.0000087855    0.2106130173   -0.0000015611    0.0000087657 >
    0.2004267126
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    1.5572053558    1.8359503911    2.1251771287   -0.1935736909 >
   -0.1443236372    0.6196166853   -0.1384191172   -0.0741276351 >
    0.5853932924
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    1.5572927169    1.8350445153    2.1261365808    0.1938301666 >
   -0.1448328566   -0.6193191406    0.1386949943   -0.0745676545 >
   -0.5850914926
CT  4  -0.5429614834   2.6747839834   0.0000118309
    1.1586937739    1.2975647489    0.7009088014   -0.3309092544 >
   -0.0000048109    0.0000208261   -0.4450852787   -0.0000062301 >
    0.0000113138
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    2.3404718149    1.5256379014    0.9107490971    0.6589753940 >
   -0.0000202518   -0.0000117037    0.6413561978   -0.0000026463 >
   -0.0000054411
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    2.3341619160    1.7611557886    1.3108216082    0.5286686312 >
   -0.0004714396   -0.0002816720    0.4522220713   -0.0004311858 >
   -0.0003014827
CT  7   2.4517294933  -2.1061588939   1.1143629318
    1.5573157347    1.8349964322    2.1262879917   -0.1938545746 >
    0.1448768076   -0.6193238315   -0.1387208151    0.0746064579 >
   -0.5850875904
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    2.3404830728    1.5256267461    0.9107493629   -0.6589693088 >
    0.0000234102   -0.0000031548   -0.6413491593    0.0000241349 >
   -0.0000028187
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    1.5572232580    1.8359103839    2.1253295504    0.1935927012 >
    0.1443558431    0.6196253003    0.1384395565    0.0741554476 >
    0.5853926509
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    2.3341719825    1.7611449691    1.3108215112   -0.5286621705 >
    0.0005147405   -0.0003260732   -0.4522161560    0.0004632879 >
   -0.0003389937
CT 11  -0.0000000857   1.6260735829   0.4722473363
    0.7985408097    1.6691452340    1.2161220024   -0.0000105198 >
    0.0000122554   -0.2106503884   -0.0000093991    0.0000120991 >
   -0.2004320810
CT 12   0.5429319001   2.6747914585  -0.0000068731
    1.1586837707    1.2975741365    0.7009089792    0.3309079458 >
   -0.0000084122    0.0000059811    0.4450840455   -0.0000044655 >
    0.0000017641
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 1.153904I A.U.
    0.4795711459    0.8132855369    0.7032119749    0.0000006082 >
    0.0000045396    0.0918647965   -0.0000004194    0.0000041086 >
    0.0949339598
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    0.8150297248    0.9374595225    1.0596192045   -0.0561107802 >
   -0.0402505593    0.2364166377   -0.0416948845   -0.0291456190 >
    0.2332333917
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    0.8150429902    0.9370955445    1.0599969064    0.0562113311 >
   -0.0404326939   -0.2362914685    0.0417919849   -0.0293166935 >
   -0.2331105071
CT  4  -0.5429614834   2.6747839834   0.0000118309
    0.6944985092    0.7112436558    0.4626760271   -0.1668286330 >
   -0.0000028895    0.0000088908   -0.1875657618   -0.0000030281 >
    0.0000045784
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    1.1204036649    0.8290055085    0.5645844796    0.2875514922 >
   -0.0000087779   -0.0000052287    0.2749706737   -0.0000020976 >
   -0.0000037329
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    1.1147990376    0.9237798851    0.7368650975    0.1994881200 >
   -0.0001781319   -0.0001133185    0.1866471751   -0.0001771945 >
   -0.0001184055
CT  7   2.4517294933  -2.1061588939   1.1143629318
    0.8150476687    0.9370752151    1.0600504760   -0.0562188786 >
    0.0404445901   -0.2362895860   -0.0418015457    0.0293307366 >
   -0.2331048055
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    1.1204086105    0.8290005445    0.5645846121   -0.2875493555 >
    0.0000115761   -0.0000020796   -0.2749682732    0.0000086461 >
   -0.0000018327
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    0.8150329932    0.9374416418    1.0596729832    0.0561159991 >
    0.0402580167    0.2364159312    0.0417020702    0.0291553294 >
    0.2332288516
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    1.1148029888    0.9237756928    0.7368650063   -0.1994859042 >
    0.0001922302   -0.0001321677   -0.1866451528    0.0001834848 >
   -0.0001314605
CT 11  -0.0000000857   1.6260735829   0.4722473363
    0.4795572601    0.8133033313    0.7032098778   -0.0000047699 >
    0.0000061415   -0.0918791919   -0.0000038205    0.0000057003 >
   -0.0949335025
CT 12   0.5429319001   2.6747914585  -0.0000068731
    0.6944938056    0.7112481869    0.4626761159    0.1668285932 >
   -0.0000042001    0.0000024135    0.1875657759   -0.0000035478 >
   -0.0000009117
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 2.307592I A.U.
    0.1964958947    0.2863525397    0.2804102495    0.0000001922 >
    0.0000015045    0.0298028086   -0.0000000638    0.0000013816 >
    0.0305142705
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    0.2809732944    0.3146806242    0.3476959891   -0.0076357806 >
   -0.0051688837    0.0543533194   -0.0059025109   -0.0063201825 >
    0.0564091939
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    0.2809728259    0.3145933122    0.3477871948    0.0076613161 >
   -0.0052084129   -0.0543216554    0.0059242178   -0.0063604952 >
   -0.0563793414
CT  4  -0.5429614834   2.6747839834   0.0000118309
    0.2810148382    0.2583100642    0.2008854881   -0.0582130963 >
   -0.0000011903    0.0000021950   -0.0527256514   -0.0000011527 >
    0.0000013765
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    0.3576528613    0.2940282044    0.2317026827    0.0751301554 >
   -0.0000021843   -0.0000014655    0.0694949858   -0.0000008668 >
   -0.0000013459
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    0.3507912329    0.3156307703    0.2695444850    0.0470802295 >
   -0.0000410136   -0.0000285495    0.0487133942   -0.0000445011 >
   -0.0000292942
CT  7   2.4517294933  -2.1061588939   1.1143629318
    0.2809729119    0.3145889609    0.3477989556   -0.0076625507 >
    0.0052095608   -0.0543212277   -0.0059264331    0.0063633381 >
   -0.0563775427
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    0.3576541567    0.2940268715    0.2317027162   -0.0751296859 >
    0.0000033713   -0.0000009213   -0.0694944568    0.0000024345 >
   -0.0000008346
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    0.2809732149    0.3146766528    0.3477077935    0.0076363897 >
    0.0051690252    0.0543530806    0.0059040773    0.0063219905 >
    0.0564076549
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    0.3507921819    0.3156297671    0.2695444475   -0.0470797871 >
    0.0000431809   -0.0000330421   -0.0487130120    0.0000431842 >
   -0.0000310568
CT 11  -0.0000000857   1.6260735829   0.4722473363
    0.1964920756    0.2863572970    0.2804098709   -0.0000013387 >
    0.0000020255   -0.0298064970   -0.0000010820    0.0000018980 >
   -0.0305140408
CT 12   0.5429319001   2.6747914585  -0.0000068731
    0.2810133433    0.2583115592    0.2008855237    0.0582134267 >
   -0.0000014706    0.0000003416    0.0527260051   -0.0000015171 >
   -0.0000006521
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W= 5.957643I A.U.
    0.0412904138    0.0534083574    0.0575082939    0.0000000490 >
    0.0000002608    0.0054566638    0.0000000080    0.0000002460 >
    0.0058370338
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    0.0498715438    0.0545773798    0.0594125713   -0.0004157834 >
   -0.0002595130    0.0067417932   -0.0002742579   -0.0006984986 >
    0.0072993239
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    0.0498711709    0.0545662516    0.0594244710    0.0004192814 >
   -0.0002641984   -0.0067375713    0.0002769639   -0.0007035404 >
   -0.0072954590
CT  4  -0.5429614834   2.6747839834   0.0000118309
    0.0578599443    0.0497860429    0.0430626484   -0.0106702572 >
   -0.0000002429    0.0000003214   -0.0087228128   -0.0000002344 >
    0.0000002337
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    0.0609798625    0.0531460183    0.0462692678    0.0099757575 >
   -0.0000003232   -0.0000002194    0.0088724504   -0.0000001498 >
   -0.0000002214
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    0.0586702611    0.0552485327    0.0493486493    0.0061120446 >
   -0.0000051457   -0.0000038299    0.0067281056   -0.0000059831 >
   -0.0000039333
CT  7   2.4517294933  -2.1061588939   1.1143629318
    0.0498709897    0.0545657661    0.0594258576   -0.0004193642 >
    0.0002641202   -0.0067376598   -0.0002772427    0.0007038165 >
   -0.0072952770
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    0.0609800352    0.0531458383    0.0462692719   -0.0099756994 >
    0.0000005519   -0.0000001981   -0.0088723806    0.0000004260 >
   -0.0000001938
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    0.0498713558    0.0545769167    0.0594139655    0.0004157800 >
    0.0002593113    0.0067418981    0.0002744464    0.0006986423 >
    0.0072991758
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    0.0586703823    0.0552484052    0.0493486441   -0.0061119957 >
    0.0000051905   -0.0000043542   -0.0067280682    0.0000053222 >
   -0.0000039063
CT 11  -0.0000000857   1.6260735829   0.4722473363
    0.0412898199    0.0534090915    0.0575082115   -0.0000002056 >
    0.0000003536   -0.0054572054   -0.0000001635    0.0000003423 >
   -0.0058369782
CT 12   0.5429319001   2.6747914585  -0.0000068731
    0.0578596817    0.0497863086    0.0430626552    0.0106703660 >
   -0.0000002684    0.0000000200    0.0087229245   -0.0000002924 >
   -0.0000001395
CT  1  -0.0000158182   1.6260762012  -0.4722492928 -- FOR W=32.239080I A.U.
    0.0016336087    0.0020024684    0.0022381720    0.0000000022 >
    0.0000000094    0.0002036112    0.0000000007    0.0000000090 >
    0.0002275762
CT  2   2.4511194914  -2.1072159918  -1.1136995047
    0.0017995505    0.0019540702    0.0021164961   -0.0000083470 >
   -0.0000054617    0.0002145655   -0.0000043491   -0.0000224463 >
    0.0002356337
CT  3  -2.4516777379  -2.1062726041   1.1143333784
    0.0017995348    0.0019537109    0.0021168811    0.0000084628 >
   -0.0000056089   -0.0002144288    0.0000044363   -0.0000226071 >
   -0.0002355097
CT  4  -0.5429614834   2.6747839834   0.0000118309
    0.0022891654    0.0019447559    0.0017336881   -0.0003974189 >
   -0.0000000091    0.0000000111   -0.0003195682   -0.0000000088 >
    0.0000000084
CT  5  -1.2267095849  -0.5837402271   0.0000164252
    0.0022012253    0.0019518683    0.0017449066    0.0003207708 >
   -0.0000000107   -0.0000000073    0.0002810277   -0.0000000050 >
   -0.0000000075
CT  6   3.5067634932  -0.4587363108  -0.0006159504
    0.0020842849    0.0019840020    0.0017956002    0.0001981389 >
   -0.0000001647   -0.0000001238    0.0002217201   -0.0000001961 >
   -0.0000001275
CT  7   2.4517294933  -2.1061588939   1.1143629318
    0.0017995248    0.0019536943    0.0021169229   -0.0000084646 >
    0.0000056039   -0.0002144342   -0.0000044453    0.0000226151 >
   -0.0002355051
CT  8   1.2267169036  -0.5837296522  -0.0000213590
    0.0022012309    0.0019518625    0.0017449068   -0.0003207690 >
    0.0000000196   -0.0000000072   -0.0002810254    0.0000000157 >
   -0.0000000073
CT  9  -2.4511301203  -2.1071448641  -1.1137283158
    0.0017995403    0.0019540540    0.0021165380    0.0000083460 >
    0.0000054528    0.0002145714    0.0000043552    0.0000224500 >
    0.0002356303
CT 10  -3.5067595296  -0.4587679932  -0.0006494687
    0.0020842888    0.0019839979    0.0017956001   -0.0001981374 >
    0.0000001620   -0.0000001406   -0.0002217190    0.0000001673 >
   -0.0000001240
CT 11  -0.0000000857   1.6260735829   0.4722473363
    0.0016335872    0.0020024935    0.0022381689   -0.0000000070 >
    0.0000000129   -0.0002036296   -0.0000000054    0.0000000126 >
   -0.0002275742
CT 12   0.5429319001   2.6747914585  -0.0000068731
    0.0022891557    0.0019447657    0.0017336883    0.0003974235 >
   -0.0000000103    0.0000000002    0.0003195729   -0.0000000113 >
   -0.0000000055
 STOP
 PROJECTION BASIS SET
A01C        -2.4294282434  -1.3014163116   0.0000202330    4.0
   S          6
     1      4563.2400000000     0.77820176
     2       682.0240000000     1.44869481
     3       154.9730000000     2.38308933
     4        44.4553000000     3.20008901
     5        13.0290000000     3.01300444
     6         1.8277300000     0.24759863
   L          3
     7        20.9642000000     0.80062852     2.57359222
     8         4.8033100000     2.12741989     2.40824822
     9         1.4593300000    -0.00286791     1.86528133
   L          1
    10         0.4834560000     0.41321665     0.57462733
   L          1
    11         0.1455850000     0.16797613     0.12818461
   L          1
    12         0.0438000000     0.06823633     0.02856161
   D          1
    13         2.5040000000     8.20388425
   D          1
    14         0.6260000000     0.72512777
   D          1
    15         0.1565000000     0.06409285
   F          1
    16         0.8000000000     0.89105994
  
A02C         0.0000005889   0.2007309188   0.0000036495    4.0
   S          6
    17      4563.2400000000     0.77820176
    18       682.0240000000     1.44869481
    19       154.9730000000     2.38308933
    20        44.4553000000     3.20008901
    21        13.0290000000     3.01300444
    22         1.8277300000     0.24759863
   L          3
    23        20.9642000000     0.80062852     2.57359222
    24         4.8033100000     2.12741989     2.40824822
    25         1.4593300000    -0.00286791     1.86528133
   L          1
    26         0.4834560000     0.41321665     0.57462733
   L          1
    27         0.1455850000     0.16797613     0.12818461
   L          1
    28         0.0438000000     0.06823633     0.02856161
   D          1
    29         2.5040000000     8.20388425
   D          1
    30         0.6260000000     0.72512777
   D          1
    31         0.1565000000     0.06409285
   F          1
    32         0.8000000000     0.89105994
  
A03C         2.4294414652  -1.3013965255  -0.0000299948    4.0
   S          6
    33      4563.2400000000     0.77820176
    34       682.0240000000     1.44869481
    35       154.9730000000     2.38308933
    36        44.4553000000     3.20008901
    37        13.0290000000     3.01300444
    38         1.8277300000     0.24759863
   L          3
    39        20.9642000000     0.80062852     2.57359222
    40         4.8033100000     2.12741989     2.40824822
    41         1.4593300000    -0.00286791     1.86528133
   L          1
    42         0.4834560000     0.41321665     0.57462733
   L          1
    43         0.1455850000     0.16797613     0.12818461
   L          1
    44         0.0438000000     0.06823633     0.02856161
   D          1
    45         2.5040000000     8.20388425
   D          1
    46         0.6260000000     0.72512777
   D          1
    47         0.1565000000     0.06409285
   F          1
    48         0.8000000000     0.89105994
  
A04O        -0.0000133320   2.4410322203   0.0000005384    6.0
   S          6
    49      8588.5000000000     1.20501289
    50      1297.2300000000     2.21620477
    51       299.2960000000     3.62745250
    52        87.3771000000     4.88845231
    53        25.6789000000     4.83572052
    54         3.7400400000     0.53822949
   L          3
    55        42.1175000000     1.34195780     5.58401753
    56         9.6283700000     3.58711431     5.73336569
    57         2.8533200000    -0.00512347     4.33295474
   L          1
    58         0.9056610000     0.66165918     1.25935210
   L          1
    59         0.2556110000     0.25620922     0.25906844
   L          1
    60         0.0845000000     0.11169986     0.06493980
   D          1
    61         5.1680000000    29.15572464
   D          1
    62         1.2920000000     2.57702633
   D          1
    63         0.3230000000     0.22777910
   F          1
    64         1.4000000000     3.13864741
  
A05H        -4.0316425852  -0.0397178902  -0.0010214187    1.0
   S          3
    65        33.8650000000     0.25506932
    66         5.0947900000     0.46010866
    67         1.1587900000     0.67832145
   S          1
    68         0.3258400000     0.30737135
   S          1
    69         0.1027410000     0.12933556
   S          1
    70         0.0360000000     0.05890294
   P          1
    71         1.5000000000     2.36621477
   P          1
    72         0.3750000000     0.41829163
  
A06H        -2.5050554239  -2.5144855999   1.6507232261    1.0
   S          3
    73        33.8650000000     0.25506932
    74         5.0947900000     0.46010866
    75         1.1587900000     0.67832145
   S          1
    76         0.3258400000     0.30737135
   S          1
    77         0.1027410000     0.12933556
   S          1
    78         0.0360000000     0.05890294
   P          1
    79         1.5000000000     2.36621477
   P          1
    80         0.3750000000     0.41829163
  
A07H        -2.5042325604  -2.5157204777  -1.6498459995    1.0
   S          3
    81        33.8650000000     0.25506932
    82         5.0947900000     0.46010866
    83         1.1587900000     0.67832145
   S          1
    84         0.3258400000     0.30737135
   S          1
    85         0.1027410000     0.12933556
   S          1
    86         0.0360000000     0.05890294
   P          1
    87         1.5000000000     2.36621477
   P          1
    88         0.3750000000     0.41829163
  
A08H         4.0316412206  -0.0396792100  -0.0008482494    1.0
   S          3
    89        33.8650000000     0.25506932
    90         5.0947900000     0.46010866
    91         1.1587900000     0.67832145
   S          1
    92         0.3258400000     0.30737135
   S          1
    93         0.1027410000     0.12933556
   S          1
    94         0.0360000000     0.05890294
   P          1
    95         1.5000000000     2.36621477
   P          1
    96         0.3750000000     0.41829163
  
A09H         2.5041643179  -2.5158593587  -1.6497573182    1.0
   S          3
    97        33.8650000000     0.25506932
    98         5.0947900000     0.46010866
    99         1.1587900000     0.67832145
   S          1
   100         0.3258400000     0.30737135
   S          1
   101         0.1027410000     0.12933556
   S          1
   102         0.0360000000     0.05890294
   P          1
   103         1.5000000000     2.36621477
   P          1
   104         0.3750000000     0.41829163
  
A10H         2.5051721775  -2.5143014631   1.6508139933    1.0
   S          3
   105        33.8650000000     0.25506932
   106         5.0947900000     0.46010866
   107         1.1587900000     0.67832145
   S          1
   108         0.3258400000     0.30737135
   S          1
   109         0.1027410000     0.12933556
   S          1
   110         0.0360000000     0.05890294
   P          1
   111         1.5000000000     2.36621477
   P          1
   112         0.3750000000     0.41829163
  
 STOP
 MULTIPLICITY    1
 STOP
 PROJECTION WAVEFUNCTION   12 240
 1  1 1.85306046E-03 3.67001014E-03-5.00035827E-03-3.02223752E-03 8.01122341E-04
 1  2-8.91793073E-03-5.97238909E-03-3.91067742E-03-1.00246802E-04 1.23501904E-02
 1  3 3.98164456E-03-3.29737715E-04 2.91045198E-02-6.64479895E-03-1.53992246E-03
 1  4-7.31395991E-04 1.41527145E-02 6.53305479E-05 6.14539063E-04 2.69911315E-04
 1  5 2.80798992E-04-5.31892254E-04-5.99390504E-04-1.32405594E-03 3.04145022E-03
 1  6 1.12325833E-03 2.53708224E-03-5.24173918E-03-6.45839198E-03 3.39311992E-03
 1  7 5.71410028E-03 4.44499038E-03 2.06864559E-03 6.79609309E-03-1.16267096E-02
 1  8-1.30002651E-03 1.89149081E-05 6.04705943E-04-3.47834169E-04-1.35728625E-03
 1  9 7.70061351E-04-2.57946410E-04-1.38465463E-04-1.47775646E-04-1.23202646E-03
 1 10-4.60074854E-02-7.83193526E-02-2.14186793E-06 1.10390436E-01-1.00216516E-01
 1 11 1.93750649E-01-3.04557017E-06 1.50038224E-01-1.49670846E-01 6.89699284E-03
 1 12-1.14003693E-05 2.76743191E-02-1.06134687E-01 9.66920197E-03 7.29779909E-06
 1 13-1.12503903E-02-2.39948438E-02-5.95029004E-03 4.03985484E-03-5.33883301E-03
 1 14-1.44064208E-07 3.73543659E-08-4.44462766E-03-2.44687134E-02 1.34424943E-02
 1 15-2.00133941E-02-8.09733367E-07 2.98131589E-07-2.96781299E-02-2.83041156E-02
 1 16-2.21133438E-02-9.85004522E-03 3.51902391E-06 3.77844986E-08 1.86766286E-02
 1 17 1.17517099E-07 3.20170540E-03 1.32455676E-03-3.07207330E-03 6.30820613E-04
 1 18-2.13917707E-07-1.09480820E-02 3.68695154E-08-1.87285897E-03 1.31160886E-07
 1 19 1.85299402E-03 3.66984575E-03 5.00051759E-03-3.02218799E-03 8.01094028E-04
 1 20-8.91771934E-03 5.97254038E-03-3.91053641E-03-1.00422423E-04 1.23639350E-02
 1 21-3.99154221E-03-3.20472948E-04 2.91055218E-02-6.68533271E-03 1.55338432E-03
 1 22-7.27720811E-04 1.41533555E-02 6.53043721E-05 6.14460132E-04 2.69941435E-04
 1 23-2.80829504E-04 5.31902753E-04-5.99369769E-04-1.32386556E-03 3.04090094E-03
 1 24 1.12323724E-03-2.53715089E-03 5.24173071E-03-6.45838232E-03 3.39479022E-03
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11 41-7.63339197E-03-1.06084944E-02-4.73920350E-03 3.86105495E-03 5.00472744E-04
11 42 5.74991441E-04 1.14809472E-04 9.12570750E-04-9.85754231E-04-1.59211843E-04
11 43 2.44152602E-03 2.94862599E-03 4.60654010E-03-1.94752161E-03 1.13028860E-04
11 44 8.71166047E-05-1.98202463E-04 8.94315823E-05 4.26808046E-04 1.62201948E-03
11 45-7.63324884E-03-1.06065591E-02-4.73072548E-03 3.86578990E-03-5.00449414E-04
11 46 5.74962195E-04 1.14814156E-04-9.12609177E-04-9.85413525E-04-1.58947249E-04
11 47 5.18895922E-03 3.93022249E-03 5.59915002E-03-3.08248173E-03-5.69317050E-06
11 48-1.79837761E-04 3.71407154E-05-1.95982478E-04 1.91920228E-03 6.89317108E-04
12  1-5.93317524E-03-1.08483964E-02 1.16754698E-02 9.05977906E-03-8.95632249E-07
12  2 2.65873124E-02 1.76593000E-02 1.59052973E-02-2.17688765E-06 7.02943117E-02
12  3 3.22366550E-02 6.50338049E-03-9.22568618E-06 6.99241084E-02 1.50689329E-02
12  4 1.89714773E-02 5.63872857E-06 1.54589876E-04-8.41976841E-04-2.50684014E-04
12  5-3.03473755E-04 1.18711654E-07-1.11990319E-07-6.82561867E-05-4.38217369E-03
12  6-4.02519397E-05-5.17653508E-03 1.06414551E-06-1.55943841E-06-7.50694459E-03
12  7-2.40588711E-02-9.51283263E-03-1.76414739E-03-5.37404682E-06-2.99171967E-06
12  8 2.64162140E-04 1.84889377E-04 3.35872452E-07-7.85944268E-04-2.25869858E-07
12  9-1.43491233E-03-5.75859059E-07 7.01849003E-04-1.71996150E-04 7.71614400E-07
12 10 1.14244675E-02 2.16057011E-02 3.08614682E-02-3.35783042E-02 3.70690025E-08
12 11-6.55045034E-02 3.86384908E-02-5.38909531E-02 2.74916802E-07 1.02569094E-01
12 12 1.23192027E-02 2.87195733E-03 1.10491305E-06 8.32296233E-03 6.54279850E-02
12 13 1.78159184E-03-4.79842761E-06 1.10944958E-03 6.92210044E-04 1.02995279E-03
12 14 5.11263893E-03 5.23117182E-08-7.47244628E-08 4.29942948E-03 2.74916291E-03
12 15 4.41282720E-03 3.50573507E-02 1.72321294E-07-6.87013368E-07 1.80629563E-02
12 16 3.54419146E-02-2.84436454E-03-4.61254020E-02-5.43861653E-06-8.14718878E-07
12 17-7.14361858E-03 2.32686683E-03 6.56384923E-09-1.92926600E-04 1.13211783E-07
12 18 8.26010354E-03-1.63873882E-07-1.71246767E-03 4.73915245E-04 7.65398444E-08
12 19 4.70227775E-03 8.70393957E-03 6.24050277E-03-8.16706141E-03 1.91226177E-06
12 20-2.06147614E-02 1.16662639E-02-1.58097855E-02 3.22552954E-06-1.51782406E-01
12 21 6.73507372E-02-3.18638460E-02 1.29840895E-05-7.84926237E-02 1.31411565E-02
12 22-1.94309301E-02 5.15587991E-06 1.54888465E-04 4.79729432E-04 2.85390313E-04
12 23 1.08150273E-04 5.62528313E-08 8.66619442E-08 1.35361611E-03 2.56240476E-03
12 24-2.17603741E-04-2.46001090E-03 4.08820847E-07 4.18247835E-07-5.20978788E-03
12 25 1.51551716E-02 1.10167240E-02 5.69249656E-03-3.13853900E-06 8.40325796E-07
12 26-7.33478415E-04 4.83687576E-04-3.73424340E-07 5.99948037E-04 3.33155803E-07
12 27-1.30110954E-03 8.20999139E-07 5.49216089E-04 3.90523789E-04 5.91566809E-07
12 28-7.01428165E-02-1.30873486E-01 2.06276100E-01 1.21425276E-01-3.33516934E-06
12 29 3.50422895E-01 3.04914544E-01 1.75132685E-01-4.90544523E-06 4.20180180E-01
12 30 3.22055754E-01 1.63048756E-01-4.33545380E-06 1.62640010E-02 4.48258629E-02
12 31 1.89834835E-02 3.05885471E-07-7.21946868E-03-9.12212367E-03-7.62970213E-03
12 32-1.18727829E-03 1.75099682E-08 1.78604702E-08-2.27010201E-02-3.52025606E-02
12 33-2.38428772E-02-9.27884735E-03 4.90782511E-08 1.71999537E-07-5.20756647E-02
12 34-6.71139175E-02-5.38659749E-02-2.32449992E-02 8.62066589E-07-1.00680046E-07
12 35 1.94292185E-04 3.05781355E-03-1.21703782E-07-1.11312267E-03 5.86422291E-08
12 36 4.71630158E-03-6.38724086E-08 1.79847845E-03-1.30779808E-04-1.87544123E-08
12 37 4.75293553E-03 4.66942993E-03 1.42449661E-02 1.58656163E-03 8.10997049E-06
12 38-2.52230338E-04-1.45565919E-07-2.84555223E-03 5.19224671E-05-5.05482326E-07
12 39-1.79632265E-03-9.38490079E-03 4.43246629E-05 4.17336909E-05 3.86888610E-04
12 40 2.97288759E-04-2.70359513E-05 1.66880247E-03 1.51833705E-03 1.39554142E-03
12 41-1.79989409E-03-9.39686800E-03 4.04959026E-05 5.17394866E-05 3.87136429E-04
12 42 2.97402883E-04 2.69037836E-05 1.66644946E-03 1.51556396E-03-1.39453799E-03
12 43-2.70137899E-03 2.92581370E-03-3.47138536E-03-1.21916027E-04 6.97056885E-05
12 44 3.23543987E-04 3.53801874E-08-3.36654603E-03 9.07563582E-06 1.63425237E-06
12 45 5.19646919E-04 7.02917703E-03-2.87711795E-03-1.69531703E-04 1.53816680E-04
12 46-1.97317360E-04 2.72255069E-05 3.15315695E-04-1.09193694E-04 1.56045013E-03
12 47 5.17887345E-04 7.01817163E-03-2.88477825E-03-1.72198030E-04 1.53723231E-04
12 48-1.97192590E-04-2.68296432E-05 3.16401769E-04-1.13445490E-04-1.56118202E-03
 FOCK MATRIX ELEMENTS
   -0.8592310165   -0.0137388675   -0.6778556773    0.0260563907 >
    0.0029701638   -0.6778591772   -0.1584743585   -0.0101061222 >
    0.0062265060   -0.6936620534   -0.0624991563   -0.0126934702 >
   -0.1025123288   -0.0516159628   -0.7457216948   -0.0141103842 >
   -0.0981651531    0.0040838156    0.0141110693    0.0292746225 >
   -0.6730449300    0.0260569640   -0.0993390898   -0.0137005746 >
   -0.0100929496   -0.0126718127   -0.0981830912   -0.6778490977 >
   -0.0624986044   -0.1025141714   -0.0126705271    0.0719705875 >
   -0.1201873844   -0.0988031690   -0.1025116976   -0.7457220476 >
    0.0137410150    0.0137139437    0.0993392173   -0.0062338233 >
    0.1025136208   -0.0040883540   -0.0029714824    0.0126947300 >
   -0.6778447390    0.0141104193   -0.0040889761    0.0981664313 >
    0.0134642680    0.0988028128    0.0106848913   -0.0040831933 >
   -0.0292745540   -0.0981819729   -0.6730448227    0.3287185335 >
   -0.0260557889    0.0137637336    0.1584742374    0.0624986107 >
    0.0140851934    0.0137658214    0.0624987138    0.0260564102 >
   -0.0140851099   -0.8592333430   -0.1584742324    0.0062339256 >
   -0.0100936321   -0.1756187460    0.0719707360   -0.0134641236 >
    0.0062263140   -0.0516156705    0.0101054736   -0.0141111039 >
    0.1584739928   -0.6936619007
 LMO CENTROIDS
CT1  -0.0000158182   1.6260762012  -0.4722492928
CT2   2.4511194914  -2.1072159918  -1.1136995047
CT3  -2.4516777379  -2.1062726041   1.1143333784
CT4  -0.5429614834   2.6747839834   0.0000118309
CT5  -1.2267095849  -0.5837402271   0.0000164252
CT6   3.5067634932  -0.4587363108  -0.0006159504
CT7   2.4517294933  -2.1061588939   1.1143629318
CT8   1.2267169036  -0.5837296522  -0.0000213590
CT9  -2.4511301203  -2.1071448641  -1.1137283158
CT10  -3.5067595296  -0.4587679932  -0.0006494687
CT11  -0.0000000857   1.6260735829   0.4722473363
CT12   0.5429319001   2.6747914585  -0.0000068731
 STOP
 CANONVEC                     16                     240
 1  1 1.99874475E-06-6.22655599E-06-2.08742255E-05-7.97520203E-07-4.89369641E-09
 1  2 2.20811433E-05 9.84826027E-05 1.77399646E-05 1.51604608E-08 1.03812321E-03
 1  3 2.66011826E-04 5.55719389E-04-2.13558767E-07 8.32147205E-04 1.02272564E-04
 1  4 1.36724611E-04-2.72880939E-07-1.12975479E-05-9.35822848E-07-1.02122892E-05
 1  5 4.84994847E-06-2.38705801E-09-6.61212776E-10 2.31274824E-05-2.98945800E-05
 1  6-5.42793596E-06-1.09037742E-05 1.31038337E-08 4.12288251E-09 1.07687095E-04
 1  7 1.13594455E-04-2.07708273E-04 1.53057963E-05 8.03098146E-08 3.12288191E-08
 1  8-3.17219665E-05-2.46461149E-05-9.97397535E-10 1.86363172E-05-1.58370201E-08
 1  9-2.97259565E-05-1.11489115E-08-7.62095418E-07 1.81213113E-06 5.75360837E-09
 1 10-7.20505212E-06-3.58734931E-05-6.94042976E-10 1.36753422E-04 4.24670151E-09
 1 11 1.16595581E-04 3.70594704E-10-9.24643597E-05-1.72784693E-08-6.03101319E-03
 1 12 1.18680663E-08-2.73393622E-03 9.87413708E-09-1.90467521E-03-2.79495223E-09
 1 13 2.85568912E-04 1.77032897E-07-1.79848062E-06-1.66959033E-05-4.13715257E-06
 1 14 8.64504965E-11 7.80135397E-11-1.07578454E-09-1.18062976E-04-1.71265800E-04
 1 15-2.50939888E-05 8.03755523E-10 1.05090396E-09 7.44302492E-09-8.08063122E-05
 1 16-1.10225641E-03 5.03507171E-04 9.39407739E-09-4.24671712E-10 3.22680073E-08
 1 17-1.32036361E-09-1.37975369E-04 6.42930333E-09 6.00073633E-05 3.14372433E-09
 1 18 2.02793604E-09 6.24804118E-09-2.55691344E-10 5.01083925E-05 1.31881674E-10
 1 19 1.99871886E-06-6.22647825E-06 2.08742270E-05-7.97140548E-07-6.88256555E-09
 1 20 2.20810788E-05-9.84829357E-05 1.77383681E-05 2.72208609E-08 1.03813173E-03
 1 21-2.66022760E-04 5.55721019E-04-1.59755562E-07 8.32153453E-04-1.02275222E-04
 1 22 1.36725234E-04-2.60492606E-07-1.12974013E-05-9.35925688E-07-1.02122363E-05
 1 23-4.84995146E-06 1.94839641E-09-1.03648031E-09 2.31274887E-05-2.98935489E-05
 1 24-5.42785185E-06 1.09035240E-05-1.02843077E-08 6.90149091E-09 1.07689103E-04
 1 25 1.13595570E-04-2.07709165E-04-1.53068575E-05-8.12047191E-08 4.08171523E-08
 1 26 3.17215985E-05-2.46446868E-05-1.98861561E-10 1.86366082E-05-1.56885059E-08
 1 27 2.97259765E-05-1.40321592E-08 7.61978884E-07 1.81242925E-06-5.35537890E-09
 1 28 5.51315355E-01 4.72793954E-01 2.17767941E-08-2.93374342E-03 4.28369095E-08
 1 29 9.74907739E-04-4.40071253E-08 5.76074586E-03-9.18414166E-08-2.59106177E-03
 1 30 1.44057400E-08-2.14655575E-03-1.23943121E-08 1.68186976E-03 3.13739289E-09
 1 31-4.63795801E-04-3.79080455E-08 1.17176855E-03 1.31073067E-03 1.25135882E-03
 1 32-1.02876025E-09 1.85203193E-09 1.69409083E-10 2.55600738E-03 2.60103338E-03
 1 33 2.17659872E-03 1.46738891E-10-8.55885512E-09-1.98567781E-09 2.17575279E-03
 1 34 2.45330068E-03 2.17654006E-03-2.30043657E-09 1.32077993E-09 1.65972071E-08
 1 35 2.10088727E-08-3.01641844E-03 4.75054206E-08-1.22573340E-03 2.20767694E-08
 1 36 1.16459239E-08 1.87960932E-08 9.52851168E-09-1.25433931E-03-5.34035663E-10
 1 37 7.02794515E-06-2.18123167E-04-2.15691234E-04-9.06996689E-05-2.57153972E-06
 1 38 1.26385386E-05 3.88746418E-09-2.53085713E-05 2.32368102E-05-6.48130500E-08
 1 39 2.69641948E-06-1.98452929E-05 7.18161653E-05 3.25624801E-05 9.94717876E-07
 1 40 6.91182198E-07-9.33658184E-07-2.56401218E-05-2.69820716E-05 2.15806857E-05
 1 41 2.70660413E-06-1.99783797E-05 7.14991327E-05 3.22718667E-05 9.91208359E-07
 1 42 6.95990672E-07 9.28866950E-07-2.55959478E-05-2.70051643E-05-2.15931979E-05
 1 43 7.02813328E-06-2.18123510E-04-2.15691415E-04-9.07000056E-05 2.57126159E-06
 1 44 1.26385145E-05 2.77519664E-09 2.53082041E-05 2.32373417E-05-4.74728037E-08
 1 45 2.70605249E-06-1.99701842E-05 7.15199138E-05 3.22651766E-05-9.91738163E-07
 1 46 6.95525822E-07 9.28906011E-07 2.55969834E-05-2.69976259E-05-2.15951863E-05
 1 47 2.69689225E-06-1.98523424E-05 7.17955580E-05 3.25697302E-05-9.94221418E-07
 1 48 6.91642764E-07-9.33674807E-07 2.56397727E-05-2.69889934E-05 2.15789232E-05
 2  1-1.89578064E-03-1.46634850E-03-6.38687361E-05-3.87442995E-05-4.25715792E-09
 2  2-3.17573821E-04-1.42144320E-04-8.49305048E-05 1.87298089E-08 4.65170986E-04
 2  3 3.13519254E-04 1.23315666E-05-4.40061880E-08-7.09014195E-04-1.30269260E-04
 2  4-1.05607801E-04 2.73732149E-08 1.76385689E-05 4.36432518E-05 5.79083520E-05
 2  5-3.24921059E-05-5.87902444E-10-1.06268459E-09 3.82792151E-04 2.26491291E-04
 2  6 1.09399805E-04 2.11525865E-04 1.69325371E-09 3.87915724E-09 1.66187187E-04
 2  7 3.05460630E-05 1.22201197E-04 5.18925194E-07-2.79841296E-08 2.81007698E-08
 2  8 2.14975521E-04 8.10213698E-05-1.21774579E-08 1.50291022E-04-4.14036406E-09
 2  9 1.15814656E-04-3.28388514E-09 4.28135285E-05 3.51970113E-05-4.82124663E-09
 2 10-5.63244793E-01-4.68347711E-01-4.62600477E-09 2.93127135E-04 7.38125593E-09
 2 11 5.00281392E-03 1.90219855E-08-1.98086105E-03-1.45415879E-08-4.52604070E-04
 2 12-9.67759454E-10-6.95214973E-04 1.72361450E-08 1.14960749E-03-1.91942362E-10
 2 13-4.63936909E-04 1.89746675E-08-1.91958337E-03-2.20520265E-03-2.18027398E-03
 2 14 1.87489993E-09-5.18900938E-09-1.81882424E-09-3.94302283E-03-3.98099276E-03
 2 15-2.56831525E-03 2.11016024E-09 1.63890349E-08 3.87285191E-09-6.92996160E-04
 2 16-1.43797533E-03-7.96220676E-04 7.04178216E-09-1.20419678E-08-3.26044593E-08
 2 17-1.65985798E-08 4.05217804E-04 9.13098787E-09 1.15991957E-03 1.34069244E-09
 2 18 6.38743486E-09 6.52788437E-10-3.45560533E-09 3.34924522E-04-1.09326842E-08
 2 19-1.89578642E-03-1.46635319E-03 6.38690286E-05-3.87435172E-05-5.66972595E-09
 2 20-3.17573380E-04 1.42145183E-04-8.49299505E-05 2.74147444E-08 4.65180626E-04
 2 21-3.13524390E-04 1.23322742E-05 2.34738307E-08-7.09005766E-04 1.30268646E-04
 2 22-1.05605640E-04 1.85349387E-08 1.76381745E-05 4.36436963E-05 5.79084252E-05
 2 23 3.24919601E-05 1.09111060E-09-1.25507841E-09 3.82795856E-04 2.26489090E-04
 2 24 1.09399989E-04-2.11525266E-04-5.22265966E-09 8.43558842E-09 1.66188796E-04
 2 25 3.05473118E-05 1.22202032E-04-5.18470732E-07 1.45144031E-08 2.64472179E-08
 2 26-2.14978642E-04 8.10199165E-05-1.01626261E-08 1.50291339E-04-1.48040584E-09
 2 27-1.15813814E-04 4.49372616E-10-4.28137976E-05 3.51967825E-05 2.58281850E-09
 2 28 2.26757895E-04 2.91721296E-04-1.98377333E-09 3.40592322E-04-6.49318983E-10
 2 29-1.23712754E-04-2.21470553E-09 3.32362200E-04 8.19446678E-10 1.23455938E-03
 2 30 5.66996627E-09-1.01529898E-03 1.07718065E-08 1.77910690E-03 3.02768971E-09
 2 31-4.59864759E-04-6.03434126E-09 5.41601384E-06-4.05467262E-05-3.96156990E-06
 2 32 4.12467580E-10-7.45151475E-11 4.40465145E-10 1.23196701E-04-3.41954073E-04
 2 33 9.35812570E-05 2.82480095E-09-9.94776259E-10-1.46258970E-09 1.46067255E-04
 2 34 5.19060342E-04 9.52258643E-05-2.41439647E-09 6.07101790E-10 2.59514408E-09
 2 35 1.45894163E-09 2.62114226E-04 9.10030163E-10-8.82736770E-05-4.50375291E-10
 2 36-2.75637249E-09-5.22999368E-10 7.14074803E-10-9.14723835E-05 1.54323323E-10
 2 37 1.06038949E-05-2.38934401E-05-4.60484152E-05 1.15745036E-04 2.12718705E-06
 2 38 1.43641693E-06-2.74043098E-10-2.64468929E-05 2.46349240E-05-1.27914174E-08
 2 39 1.84547248E-05-7.52052394E-05-5.52296066E-05-3.47426281E-05 2.55507505E-08
 2 40 3.78617733E-06-1.07859202E-07-1.23520844E-05-4.13397752E-05 1.86707716E-05
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40  9-4.66094449E-03-7.46164466E-07-1.85318888E-03-1.27390193E-03 3.50855180E-07
40 10-4.34362314E-03 2.69439469E-03 2.77258057E-08-2.89569004E-03 1.53603927E-07
40 11 2.60624750E-02 6.17452223E-08-1.42940552E-02-5.99522901E-07-2.80912894E-01
40 12-6.37681356E-08-5.80791755E-02 1.24611983E-06-2.96891628E-02-3.29948626E-07
40 13 2.99660292E-02 4.76467705E-06-5.49460635E-03-1.95441656E-02-3.35383770E-03
40 14 1.09328895E-07 3.23106842E-08-8.01965403E-09-2.30335952E-03-1.26906404E-03
40 15-1.60645665E-02-8.31678673E-08-1.93029422E-07 1.94137949E-07-2.77428454E-02
40 16-5.54271959E-02 1.54231599E-02 5.53809242E-07 3.78097684E-07 8.80284691E-08
40 17 1.44066994E-07 9.91100373E-03 1.87285402E-07-6.16554825E-03 4.83127134E-08
40 18-1.13087234E-07 1.07397360E-07-5.23933358E-10 1.59901951E-03 8.36799748E-08
40 19 6.19359875E-04-1.09806649E-03 2.02544073E-03-7.00964259E-04-5.74066597E-07
40 20-2.51859283E-03-7.47841218E-03 3.19370778E-03 2.06602094E-06 8.68697579E-02
40 21-3.86645146E-02 4.01610771E-02-9.28261581E-06 2.33149372E-02-2.66138789E-03
40 22-6.57087629E-04-8.44610724E-06 5.74984310E-04 1.92532378E-04-1.99683714E-04
40 23-9.26123658E-04 1.27617063E-08-2.80227253E-08-5.82707292E-03-3.32376386E-03
40 24-3.83149633E-04 5.97801903E-03-1.87494945E-07 9.06049777E-08 1.13730184E-02
40 25 7.09078068E-03-1.05959337E-02-5.22862629E-03-3.42543647E-06 1.83034015E-06
40 26 8.57916088E-03-3.07468771E-03-4.59701009E-07-4.75407708E-03-8.19696545E-07
40 27 4.66100782E-03-1.02252728E-06 1.85322423E-03-1.27391405E-03-3.00142899E-07
40 28 2.20771482E+00-1.60516966E+00 3.63683870E-08-5.91462814E-03-5.73107531E-08
40 29-5.26754609E+00-1.91338653E-07 3.08320766E-02 1.85579628E-07-2.07140617E-01
40 30 2.62598374E-07-5.53325740E-02-4.17500819E-07-3.05786828E-03 1.19115291E-07
40 31-1.84755007E-02-3.88616640E-07 1.20678159E+00 1.20432858E+00 1.20660301E+00
40 32 1.87704029E-08-4.40159435E-09 2.41844096E-08 1.57471457E+00 1.57653828E+00
40 33 1.57465569E+00-1.61290825E-08 3.44835650E-10-5.91063297E-08 1.30678102E-01
40 34 1.38714076E-01 1.29022668E-01-5.24129767E-08-1.38559194E-08 3.78194133E-07
40 35 5.24701760E-08-1.49453528E-02-1.71051690E-08-3.27589872E-03-1.10516297E-08
40 36 8.86091912E-08-6.94298666E-08 2.12456234E-08-2.87010567E-03 1.97961050E-09
40 37 9.79294099E-04-9.88697051E-03-4.58277085E-03-5.11921261E-03-2.66467008E-04
40 38 2.01198698E-04 3.25814295E-07-1.50864393E-03 4.16664452E-04-2.68270400E-06
40 39-2.18867237E-04 1.09907131E-03 6.54120510E-03 1.76323846E-04-6.01817996E-05
40 40-1.33919095E-04-8.50067379E-05-1.19797595E-03-5.83081314E-04 5.15824602E-04
40 41-2.18441886E-04 1.09279713E-03 6.52804764E-03 1.68216624E-04-6.06191519E-05
40 42-1.34185845E-04 8.51365234E-05-1.19690570E-03-5.82697584E-04-5.17278946E-04
40 43 9.79270163E-04-9.88700781E-03-4.58270447E-03-5.11924264E-03 2.66486104E-04
40 44 2.01208381E-04 2.29318611E-07 1.50864162E-03 4.16691880E-04-1.79825553E-06
40 45-2.18332655E-04 1.09253448E-03 6.52823210E-03 1.68141817E-04 6.06601926E-05
40 46-1.34253372E-04 8.52351273E-05 1.19691814E-03-5.82292659E-04-5.17496796E-04
40 47-2.18961292E-04 1.09938435E-03 6.54112953E-03 1.76431006E-04 6.01473996E-05
40 48-1.33844169E-04-8.49200459E-05 1.19798342E-03-5.83452138E-04 5.15598233E-04
 CANONFOK
  -20.5419731076  -11.3254279179  -11.2292976237  -11.2292749667 >
   -1.4037777000   -1.0421847058   -0.9700393440   -0.7421479139 >
   -0.6516329241   -0.6409213547   -0.6277774564   -0.5657665842 >
   -0.5618349159   -0.5399691357   -0.4979272825   -0.4107511828 >
    0.0351333275    0.0549594507    0.0615875187    0.0734440926 >
    0.0872094629    0.0915634173    0.1072000219    0.1315996402 >
    0.1396296315    0.1599429758    0.1616497233    0.1658429595 >
    0.1723830187    0.1739614086    0.1771431024    0.1825109545 >
    0.2027009049    0.2175562565    0.2261436929    0.2671355209 >
    0.2883115342    0.3049947138    0.3184745319    0.3241996276 >
    0.3526055895    0.3637433353    0.3790425540    0.3891941303 >
    0.3946893446    0.4363046563    0.4504838606    0.4536449900 >
    0.4618169150    0.4706737583    0.5097996449    0.5439956092 >
    0.5604203650    0.5737686960    0.5857806598    0.5933229164 >
    0.6337188297    0.6481932463    0.6904418547    0.7050659802 >
    0.7193676749    0.7590937783    0.7593894531    0.7675583903 >
    0.7702448134    0.8094608264    0.8104979255    0.8301090706 >
    0.8563171689    0.8685442468    0.8691889423    0.8901683677 >
    0.9493341238    0.9525169337    0.9802673047    0.9909502008 >
    1.0032704865    1.0959017205    1.1438656510    1.1491772346 >
    1.1515893579    1.1889590136    1.2113703589    1.2410534332 >
    1.2691362199    1.2736631201    1.2961330651    1.3037427501 >
    1.3127948159    1.3294061692    1.3529305812    1.3780215926 >
    1.4089348863    1.4199749413    1.4699866082    1.5042991414 >
    1.5069566533    1.5074530436    1.5180509442    1.5258695807 >
    1.5920622292    1.6180920760    1.6203778810    1.6506402157 >
    1.7211387832    1.7369174967    1.7454342382    1.7614449670 >
    1.7899648318    1.7923015656    1.8544334912    1.8707036408 >
    1.9171777854    2.0555816871    2.1469583390    2.2524802359 >
    2.2559044160    2.2594678166    2.2663071174    2.3651719011 >
    2.3979112157    2.4100770258    2.4495281595    2.4655250446 >
    2.6795452399    2.6977684144    2.9502880018    2.9675190105 >
    3.0311008063    3.0743175812    3.1402647826    3.1554742637 >
    3.1830796294    3.2409020715    3.2588742522    3.2725626991 >
    3.2743555397    3.2936575322    3.3518397360    3.3738976669 >
    3.4072913962    3.4399620826    3.4845236661    3.4852892551 >
    3.5231796042    3.5574709574    3.5911903516    3.6073097224 >
    3.6267502468    3.7057737150    3.7092543563    3.7667767104 >
    3.8881982445    3.9055579944    3.9208039792    3.9549676134 >
    3.9715051897    4.0161741640    4.0902937504    4.2156354591 >
    4.2301154341    4.3142316615    4.3203834418    4.3985871159 >
    4.4201021909    4.5146019488    4.5443570109    4.6098187349 >
    4.6594731696    4.6662352939    4.6699553984    4.7331657986 >
    4.7630247115    4.8329658718    4.8349217802    4.8399239620 >
    4.9021009498    4.9047734649    5.0011454719    5.1002489132 >
    5.1797905776    5.4970014381    5.5213048034    5.5611783377 >
    5.7245199441    5.7701905281    5.8167878089    5.9499085314 >
    6.1059923630    6.1555015125    6.1599363271    6.1757654958 >
    6.2002679781    6.2341470310    6.2509274030    6.3452229909 >
    6.7608565874    7.0575437405    7.1233024848    7.5214627521 >
    7.5553428959    7.6966893655    7.7263211432    7.8324790908 >
    7.8976665434    8.0054299568    8.1619557116    8.2666037474 >
    8.3832144840    8.4044666370    8.4677045336    8.4999242122 >
    8.7057477429    9.0630723736    9.1177664285    9.3666500861 >
    9.5543461492    9.5821675294   10.1181196153   10.3289908316 >
   10.4254003533   10.4471564941   10.4880714479   10.5903179436 >
   10.6434890955   11.0318443198   11.2957357086   15.1221816840 >
   15.1856947229   15.4240474926   15.5856102248   16.0985682291 >
   17.3532442879   17.4530737539   17.6717294297   20.1283235229 >
   30.1664163295   30.3099167630   30.4306801066   62.9536242617
 STOP
SCREEN2      (FROM VDWSCL=   0.700)
 A01C       1.000000000   2.448850902
 A02C       1.000000000   1.867407481
 A03C       1.000000000   2.287141249
 A04O       1.000000000   1.927315255
 A05H       1.000000000   1.600858683
 A06H       1.000000000   1.551486353
 A07H       1.000000000   1.551887992
 A08H       1.000000000   1.563114109
 A09H       1.000000000   1.538675054
 A10H       1.000000000   1.541154094
 BO21       1.000000000   0.640485686
 BO32       1.000000000   0.648232280
 BO42       1.000000000   9.789420461
 BO51       1.000000000   1.551303066
 BO61       1.000000000   1.463373093
 BO71       1.000000000   1.453266676
 BO83       1.000000000   1.672781434
 BO93       1.000000000   1.508392334
 BO103      1.000000000   1.495401266
STOP
SCREEN       (FROM VDWSCL=   0.700)
 A01C       1.000000000  10.000000000
 A02C       1.000000000   0.832497265
 A03C       1.000000000  10.000000000
 A04O       1.000000000   0.996495603
 A05H       1.000000000   0.887430551
 A06H       1.000000000   0.975572377
 A07H       1.000000000   0.990814430
 A08H       1.000000000   0.889449681
 A09H       1.000000000   0.978457006
 A10H       1.000000000   0.982455526
 BO21       1.000000000   0.495947341
 BO32       1.000000000   0.499972789
 BO42       1.000000000  10.093120445
 BO51       1.000000000   0.718787510
 BO61       1.000000000   0.583873630
 BO71       1.000000000   0.571904780
 BO83       1.000000000   0.716226061
 BO93       1.000000000   0.582072109
 BO103      1.000000000   0.576422838
STOP
 $END