/usr/share/psi/efpfrag/nh3.efp

          RUNTYP=MAKEFP EFFECTIVE FRAGMENT POTENTIAL DATA FOLLOWS...
          FRAGNAMEEFP GENERATED AT Tue Mar 27 16:16:45 2012
 $NH3
EFP DATA FOR FRAGNAME SCFTYP=RHF   ... GENERATED WITH BASIS SET=6-311++G(3df,2p)
 COORDINATES (BOHR)
A01N1      0.0000000000   0.0000000000  -0.1193880985  14.0030700  7.0
A02H2     -0.8821076766  -1.5278551402   0.5529398549   1.0078250  1.0
A03H3     -0.8821076644   1.5278551472   0.5529398549   1.0078250  1.0
A04H4      1.7642151525   0.0000000000   0.5529399267   1.0078250  1.0
BO21      -0.4410538383  -0.7639275701   0.2167758782   0.0000000  0.0
BO31      -0.4410538322   0.7639275736   0.2167758782   0.0000000  0.0
BO41       0.8821075762   0.0000000000   0.2167759141   0.0000000  0.0
 STOP
 MONOPOLES 
A01N1     -6.6449324364   7.00000
A02H2     -0.6086717606   1.00000
A03H3     -0.6086717614   1.00000
A04H4     -0.6086717517   1.00000
BO21      -0.5096840942   0.00000
BO31      -0.5096840935   0.00000
BO41      -0.5096841021   0.00000
 STOP
 DIPOLES 
A01N1      -0.0000000307    0.0000000005    0.8238262734
A02H2      -0.0354570447   -0.0614133945    0.0085447729
A03H3      -0.0354570442    0.0614133949    0.0085447730
A04H4       0.0709140813    0.0000000001    0.0085447745
BO21        0.1491195192    0.2582825851   -0.1701222687
BO31        0.1491195189   -0.2582825864   -0.1701222683
BO41       -0.2982390205    0.0000000012   -0.1701222947
 STOP
 QUADRUPOLES 
A01N1      -3.5655228692   -3.5655228921   -4.6990856666    0.0000000007 >
            0.0000000259    0.0000000009
A02H2      -0.3615717478   -0.3623324771   -0.3644565695   -0.0006588110 >
           -0.0032104756   -0.0055607072
A03H3      -0.3615717485   -0.3623324778   -0.3644565702    0.0006588110 >
           -0.0032104756    0.0055607072
A04H4      -0.3627128297   -0.3611913697   -0.3644565553    0.0000000000 >
            0.0064209516    0.0000000000
BO21       -0.2621192678   -0.2327947160   -0.3137355944    0.0253958115 >
           -0.0095309739   -0.0165081327
BO31       -0.2621192673   -0.2327947148   -0.3137355936   -0.0253958114 >
           -0.0095309739    0.0165081329
BO41       -0.2181324437   -0.2767815519   -0.3137355960    0.0000000000 >
            0.0190619546   -0.0000000001
 STOP
 OCTUPOLES  
A01N1      -0.0441347524    0.0000000009    2.5095104451    0.0000000008 >
            0.9039995065    0.0441346142    0.9039995000   -0.0000000311 >
            0.0000000009    0.0000000002
A02H2      -0.0586056886   -0.1005168638   -0.0088276318   -0.0335056212 >
           -0.0040551505   -0.0187722391   -0.0055830635   -0.0194887561 >
           -0.0337555112   -0.0013232116
A03H3      -0.0586056877    0.1005168644   -0.0088276317    0.0335056214 >
           -0.0040551505   -0.0187722388   -0.0055830635   -0.0194887558 >
            0.0337555114    0.0013232116
A04H4       0.1154946370    0.0000000001   -0.0088276307    0.0000000000 >
           -0.0063470197    0.0392612025   -0.0032911935    0.0389775074 >
            0.0000000000    0.0000000000
BO21        0.4494657036    0.7938380938   -0.5248487871    0.2646126991 >
           -0.1747825688    0.1616311276   -0.1805281162    0.1494813753 >
            0.2589093442   -0.0049757905
BO31        0.4494657037   -0.7938380979   -0.5248487838   -0.2646127003 >
           -0.1747825676    0.1616311277   -0.1805281151    0.1494813753 >
           -0.2589093455    0.0049757904
BO41       -0.9255021073    0.0000000043   -0.5248488855    0.0000000015 >
           -0.1834009247   -0.2966914772   -0.1719098276   -0.2989627322 >
            0.0000000014    0.0000000000
 STOP
 POLARIZABLE POINTS
CT1  -0.5251394459  -0.9095681227   0.3261862484
    2.1998617706    3.6186399671    1.6907027672    1.2286117581 >
   -0.5999455800   -1.0390957328    1.2286810814   -0.5197672535 >
   -0.9002568524
CT2   1.0502787886  -0.0000000012   0.3261863008
    4.3279192391    1.4905404427    1.6907028567    0.0000023009 >
    1.1999151563    0.0000399911    0.0000997249    1.0395289942 >
   -0.0000031988
CT3  -0.5251394379   0.9095681275   0.3261862452
    2.1998587983    3.6185729021    1.6907027645   -1.2286021977 >
   -0.5999429308    1.0390557848   -1.2285980104   -0.5197617151 >
    0.9002600542
CT4   0.0000000197  -0.0000000007  -0.7552424478
    2.9058878661    2.9056968381    7.2806674938   -0.0000069845 >
   -0.0000030096    0.0000000072   -0.0000095214   -0.0000001528 >
    0.0000000113
 STOP
 DYNAMIC POLARIZABLE POINTS
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 0.002792I A.U.
    2.1998155676    3.6184649029    1.6905179834    1.2285865379 >
   -0.5999616348   -1.0391640017    1.2285865671   -0.5196106589 >
   -0.8999920288
CT  2   1.0502787886  -0.0000000012   0.3261863008
    4.3277894329    1.4904907042    1.6905180732   -0.0000000030 >
    1.1999233129   -0.0000000020   -0.0000000059    1.0392213645 >
   -0.0000000042
CT  3  -0.5251394379   0.9095681275   0.3261862452
    2.1998155522    3.6184649460    1.6905179807   -1.2285865295 >
   -0.5999616265    1.0391640022   -1.2285865558   -0.5196106552 >
    0.8999920334
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    2.9059548818    2.9059548413    7.2807465492    0.0000000000 >
   -0.0000001426    0.0000000121    0.0000000001   -0.0000001417 >
    0.0000000102
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 0.015107I A.U.
    2.1989870609    3.6162889662    1.6896114342    1.2274196294 >
   -0.5994111168   -1.0382104766    1.2274196585   -0.5187254496 >
   -0.8984588020
CT  2   1.0502787886  -0.0000000012   0.3261863008
    4.3249397819    1.4903359125    1.6896115238   -0.0000000029 >
    1.1988222769   -0.0000000021   -0.0000000059    1.0374509464 >
   -0.0000000039
CT  3  -0.5251394379   0.9095681275   0.3261862452
    2.1989870457    3.6162890093    1.6896114315   -1.2274196210 >
   -0.5994111086    1.0382104771   -1.2274196471   -0.5187254464 >
    0.8984588063
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    2.9038722734    2.9038722333    7.2692231864   -0.0000000002 >
   -0.0000001423    0.0000000120   -0.0000000001   -0.0000001413 >
    0.0000000101
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 0.039002I A.U.
    2.1941406521    3.6035945746    1.6843532526    1.2206230761 >
   -0.5962035944   -1.0326548853    1.2206231050   -0.5136234258 >
   -0.8896218379
CT  2   1.0502787886  -0.0000000012   0.3261863008
    4.3083214003    1.4894134962    1.6843533413   -0.0000000029 >
    1.1924072324   -0.0000000020   -0.0000000058    1.0272468986 >
   -0.0000000038
CT  3  -0.5251394379   0.9095681275   0.3261862452
    2.1941406369    3.6035946174    1.6843532499   -1.2206230677 >
   -0.5962035863    1.0326548858   -1.2206230936   -0.5136234228 >
    0.8896218422
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    2.8917483548    2.8917483147    7.2027405439   -0.0000000002 >
   -0.0000001405    0.0000000118   -0.0000000002   -0.0000001392 >
    0.0000000098
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 0.077996I A.U.
    2.1772221024    3.5597211759    1.6665558711    1.1972794896 >
   -0.5851727691   -1.0135489361    1.1972795175   -0.4967637222 >
   -0.8604199757
CT  2   1.0502787886  -0.0000000012   0.3261863008
    4.2509705827    1.4859723743    1.6665559566   -0.0000000029 >
    1.1703455822   -0.0000000021   -0.0000000059    0.9935274905 >
   -0.0000000036
CT  3  -0.5251394379   0.9095681275   0.3261862452
    2.1772220875    3.5597212183    1.6665558686   -1.1972794814 >
   -0.5851727612    1.0135489366   -1.1972795064   -0.4967637194 >
    0.8604199800
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    2.8501808060    2.8501807664    6.9822256251   -0.0000000002 >
   -0.0000001349    0.0000000111   -0.0000000001   -0.0000001321 >
    0.0000000090
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 0.138651I A.U.
    2.1300572815    3.4407746587    1.6206973318    1.1351147105 >
   -0.5556866625   -0.9624775034    1.1351147358   -0.4561931784 >
   -0.7901497352
CT  2   1.0502787886  -0.0000000012   0.3261863008
    4.0961332311    1.4746984101    1.6206974096   -0.0000000027 >
    1.1113733697   -0.0000000020   -0.0000000054    0.9123864008 >
   -0.0000000030
CT  3  -0.5251394379   0.9095681275   0.3261862452
    2.1300572673    3.4407746992    1.6206973297   -1.1351147025 >
   -0.5556866549    0.9624775038   -1.1351147252   -0.4561931761 >
    0.7901497392
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    2.7399265614    2.7399265242    6.4460836989   -0.0000000002 >
   -0.0000001217    0.0000000095   -0.0000000001   -0.0000001160 >
    0.0000000070
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 0.233223I A.U.
    2.0145238016    3.1669821706    1.5231859444    0.9980583746 >
   -0.4900751227   -0.8488349873    0.9980583940   -0.3827285471 >
   -0.6629052660
CT  2   1.0502787886  -0.0000000012   0.3261863008
    3.7432112665    1.4382944527    1.5231860073   -0.0000000024 >
    0.9801502903   -0.0000000017   -0.0000000045    0.7654571344 >
   -0.0000000022
CT  3  -0.5251394379   0.9095681275   0.3261862452
    2.0145237888    3.1669822070    1.5231859430   -0.9980583672 >
   -0.4900751160    0.8488349874   -0.9980583846   -0.3827285452 >
    0.6629052696
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    2.4976170213    2.4976169901    5.4537423340   -0.0000000001 >
   -0.0000000995    0.0000000068   -0.0000000001   -0.0000000902 >
    0.0000000040
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 0.385897I A.U.
    1.7655110334    2.6390213780    1.3432067127    0.7564822699 >
   -0.3722996911   -0.6448419629    0.7564822807   -0.2826156138 >
   -0.4895045864
CT  2   1.0502787886  -0.0000000012   0.3261863008
    3.0757765004    1.3287557312    1.3432067548   -0.0000000019 >
    0.7445994238   -0.0000000012   -0.0000000032    0.5652312631 >
   -0.0000000014
CT  3  -0.5251394379   0.9095681275   0.3261862452
    1.7655110237    2.6390214073    1.3432067123   -0.7564822642 >
   -0.3722996858    0.6448419629   -0.7564822736   -0.2826156121 >
    0.4895045889
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    2.0615238071    2.0615237871    4.0609669856   -0.0000000001 >
   -0.0000000723    0.0000000038   -0.0000000001   -0.0000000628 >
    0.0000000015
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 0.649114I A.U.
    1.3254123359    1.8407948667    1.0441197615    0.4463344395 >
   -0.2177799930   -0.3772060037    0.4463344432   -0.1744039087 >
   -0.3020764231
CT  2   1.0502787886  -0.0000000012   0.3261863008
    2.0984861150    1.0677209901    1.0441197828   -0.0000000013 >
    0.4355600178   -0.0000000007   -0.0000000017    0.3488078457 >
   -0.0000000008
CT  3  -0.5251394379   0.9095681275   0.3261862452
    1.3254123303    1.8407948861    1.0441197618   -0.4463344360 >
   -0.2177799897    0.3772060036   -0.4463344392   -0.1744039070 >
    0.3020764241
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    1.4373127196    1.4373127122    2.5401152520   -0.0000000001 >
   -0.0000000449    0.0000000016   -0.0000000001   -0.0000000400 >
    0.0000000006
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 1.153904I A.U.
    0.7544371676    0.9664705377    0.6304831230    0.1836263153 >
   -0.0875332056   -0.1516119569    0.1836263166   -0.0809326041 >
   -0.1401793796
CT  2   1.0502787886  -0.0000000012   0.3261863008
    1.0724872198    0.6484204496    0.6304831314   -0.0000000006 >
    0.1750664281   -0.0000000004   -0.0000000007    0.1618652244 >
   -0.0000000004
CT  3  -0.5251394379   0.9095681275   0.3261862452
    0.7544371654    0.9664705473    0.6304831234   -0.1836263138 >
   -0.0875332040    0.1516119567   -0.1836263151   -0.0809326027 >
    0.1401793796
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    0.7592675915    0.7592675904    1.2337002467   -0.0000000001 >
   -0.0000000206    0.0000000005   -0.0000000001   -0.0000000198 >
    0.0000000004
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 2.307592I A.U.
    0.2772777989    0.3315208426    0.2449573669    0.0469758609 >
   -0.0224857973   -0.0389465433    0.0469758616   -0.0239937193 >
   -0.0415583404
CT  2   1.0502787886  -0.0000000012   0.3261863008
    0.3586423643    0.2501562694    0.2449573698   -0.0000000002 >
    0.0449716000   -0.0000000001   -0.0000000002    0.0479874440 >
   -0.0000000001
CT  3  -0.5251394379   0.9095681275   0.3261862452
    0.2772777984    0.3315208457    0.2449573670   -0.0469758605 >
   -0.0224857968    0.0389465432   -0.0469758612   -0.0239937187 >
    0.0415583402
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    0.2648813705    0.2648813706    0.4101197216    0.0000000000 >
   -0.0000000060    0.0000000001    0.0000000000   -0.0000000062 >
    0.0000000002
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W= 5.957643I A.U.
    0.0512660552    0.0584841771    0.0468424444    0.0062510777 >
   -0.0031161605   -0.0053973484    0.0062510779   -0.0035567807 >
   -0.0061605248
CT  2   1.0502787886  -0.0000000012   0.3261863008
    0.0620932380    0.0476569934    0.0468424450    0.0000000000 >
    0.0062323218    0.0000000000    0.0000000000    0.0071135622 >
    0.0000000000
CT  3  -0.5251394379   0.9095681275   0.3261862452
    0.0512660551    0.0584841776    0.0468424444   -0.0062510777 >
   -0.0031161604    0.0053973483   -0.0062510779   -0.0035567806 >
    0.0061605248
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    0.0486518312    0.0486518312    0.0733814565    0.0000000000 >
   -0.0000000009    0.0000000000    0.0000000000   -0.0000000010 >
    0.0000000000
CT  1  -0.5251394459  -0.9095681227   0.3261862484 -- FOR W=32.239080I A.U.
    0.0018921152    0.0021263995    0.0017447398    0.0002028961 >
   -0.0001026324   -0.0001777645    0.0002028961   -0.0001191342 >
   -0.0002063465
CT  2   1.0502787886  -0.0000000012   0.3261863008
    0.0022435416    0.0017749731    0.0017447398    0.0000000000 >
    0.0002052648    0.0000000000    0.0000000000    0.0002382684 >
    0.0000000000
CT  3  -0.5251394379   0.9095681275   0.3261862452
    0.0018921152    0.0021263995    0.0017447398   -0.0002028961 >
   -0.0001026324    0.0001777645   -0.0002028961   -0.0001191342 >
    0.0002063465
CT  4   0.0000000197  -0.0000000007  -0.7552424478
    0.0018214181    0.0018214181    0.0027182560    0.0000000000 >
    0.0000000000    0.0000000000    0.0000000000    0.0000000000 >
    0.0000000000
 STOP
 PROJECTION BASIS SET
A01N1        0.0000000000   0.0000000000  -0.1193880985    5.0
   S          6
     1      6293.4800000000     0.99196821
     2       949.0440000000     1.82323973
     3       218.7760000000     2.97989064
     4        63.6916000000     4.00000703
     5        18.8282000000     3.88100769
     6         2.7202300000     0.38676433
   L          3
     7        30.6331000000     1.03850116     3.93561562
     8         7.0261400000     2.83479441     3.87099402
     9         2.1120500000    -0.00320800     2.96727076
   L          1
    10         0.6840090000     0.53605142     0.88668091
   L          1
    11         0.2008780000     0.21385006     0.19169269
   L          1
    12         0.0639000000     0.09058071     0.04579480
   D          1
    13         3.6520000000    15.87955404
   D          1
    14         0.9130000000     1.40356754
   D          1
    15         0.2282500000     0.12405902
   F          1
    16         1.0000000000     1.47215809
  
A02H2       -0.8821076766  -1.5278551402   0.5529398549    1.0
   S          3
    17        33.8650000000     0.25506932
    18         5.0947900000     0.46010866
    19         1.1587900000     0.67832145
   S          1
    20         0.3258400000     0.30737135
   S          1
    21         0.1027410000     0.12933556
   S          1
    22         0.0360000000     0.05890294
   P          1
    23         1.5000000000     2.36621477
   P          1
    24         0.3750000000     0.41829163
  
A03H3       -0.8821076644   1.5278551472   0.5529398549    1.0
   S          3
    25        33.8650000000     0.25506932
    26         5.0947900000     0.46010866
    27         1.1587900000     0.67832145
   S          1
    28         0.3258400000     0.30737135
   S          1
    29         0.1027410000     0.12933556
   S          1
    30         0.0360000000     0.05890294
   P          1
    31         1.5000000000     2.36621477
   P          1
    32         0.3750000000     0.41829163
  
A04H4        1.7642151525   0.0000000000   0.5529399267    1.0
   S          3
    33        33.8650000000     0.25506932
    34         5.0947900000     0.46010866
    35         1.1587900000     0.67832145
   S          1
    36         0.3258400000     0.30737135
   S          1
    37         0.1027410000     0.12933556
   S          1
    38         0.0360000000     0.05890294
   P          1
    39         1.5000000000     2.36621477
   P          1
    40         0.3750000000     0.41829163
  
 STOP
 MULTIPLICITY    1
 STOP
 PROJECTION WAVEFUNCTION    4  75
 1  1-5.16168414E-02-9.03966786E-02-8.62686461E-02-1.49421671E-01 6.73654870E-02
 1  2 2.32640095E-01-1.30186262E-01-2.25489209E-01 1.05149038E-01 1.58041223E-01
 1  3-8.02681828E-02-1.39028571E-01 8.08305120E-02 1.54846723E-02-3.97290324E-03
 1  4-6.88126985E-03 1.97781192E-02-5.00384927E-03-2.69599511E-03-4.32747062E-03
 1  5 2.30785458E-03-1.29371713E-03-2.24078354E-03-1.46271805E-02-2.20873954E-03
 1  6-1.09368266E-02 1.24184443E-02-9.50762790E-03-1.64676929E-02-2.01100216E-02
 1  7-1.98947632E-02-1.14082295E-02 2.15258801E-04-5.25569009E-03-9.10312207E-03
 1  8-1.29773656E-03-4.56476227E-03-9.11659992E-04-2.04142421E-03 2.46945207E-03
 1  9-2.97337020E-03 3.18784017E-03 6.00681447E-04 1.04041030E-03 7.18388606E-04
 1 10 1.92913270E-01 2.68419337E-01 7.51818153E-02 3.84816634E-04 6.90542221E-03
 1 11 1.19605403E-02-4.57009292E-03 1.33154826E-02 2.30630900E-02-8.22492813E-03
 1 12-1.25262144E-02-3.75683524E-02-2.70695842E-02-2.82363073E-03-2.75999035E-03
 1 13-4.07496680E-03 2.25477362E-03-7.06884302E-03-3.30744943E-03 6.70329016E-03
 1 14-1.25262163E-02-3.75683536E-02-2.70695812E-02-2.82363050E-03-2.14902922E-03
 1 15-4.42770513E-03 2.25477383E-03 6.70086638E-04-7.77552154E-03 6.70329036E-03
 2  1 5.16168425E-02 9.03966807E-02-1.72537282E-01 4.81512760E-10-6.73654980E-02
 2  2-2.32640101E-01-2.60372508E-01 7.12314383E-10-1.05149055E-01-1.58041231E-01
 2  3-1.60536356E-01 6.78464419E-10-8.08305250E-02-1.54846747E-02-7.94580406E-03
 2  4 3.92141902E-11-1.97781209E-02 1.54206808E-03 6.15777691E-03 4.32747060E-03
 2  5 6.67366921E-12-2.58743426E-03 4.93100538E-12-4.00048085E-03 2.08364041E-02
 2  6 1.09368255E-02-1.81175621E-11-1.90152549E-02 2.29431658E-11 1.97871362E-02
 2  7 2.02176520E-02 1.14082287E-02 1.76217307E-11-1.05113789E-02 4.61425144E-11
 2  8-6.60866348E-03 3.01731213E-11 9.11659977E-04 4.21003246E-12-3.54703508E-03
 2  9-5.62478847E-04-2.11025767E-03 1.20136246E-03 1.68764307E-12-1.80274409E-11
 2 10 1.25262170E-02 3.75683550E-02 2.70695824E-02 2.82363074E-03-4.90901937E-03
 2 11 3.52738777E-04-2.25477414E-03-6.39875495E-03 4.46807366E-03-6.70329063E-03
 2 12 1.25262170E-02 3.75683551E-02 2.70695827E-02 2.82363077E-03-4.90901938E-03
 2 13-3.52738725E-04-2.25477414E-03-6.39875503E-03-4.46807363E-03-6.70329065E-03
 2 14-1.92913272E-01-2.68419334E-01-7.51818098E-02-3.84816609E-04 1.38108431E-02
 2 15 2.23597342E-11 4.57009349E-03 2.66309616E-02 3.61810897E-12 8.22492900E-03
 3  1-5.16168411E-02-9.03966781E-02-8.62686447E-02 1.49421673E-01 6.73654860E-02
 3  2 2.32640094E-01-1.30186260E-01 2.25489212E-01 1.05149037E-01 1.58041222E-01
 3  3-8.02681819E-02 1.39028572E-01 8.08305105E-02 1.54846721E-02-3.97290324E-03
 3  4 6.88126995E-03 1.97781188E-02-5.00384927E-03-2.69599506E-03-4.32747061E-03
 3  5-2.30785459E-03-1.29371711E-03 2.24078355E-03-1.46271806E-02-2.20873932E-03
 3  6-1.09368266E-02-1.24184443E-02-9.50762773E-03 1.64676931E-02-2.01100214E-02
 3  7-1.98947630E-02-1.14082295E-02-2.15258809E-04-5.25569005E-03 9.10312215E-03
 3  8-1.29773657E-03 4.56476235E-03-9.11660001E-04 2.04142418E-03 2.46945202E-03
 3  9-2.97337015E-03 3.18784015E-03 6.00681424E-04-1.04041031E-03-7.18388592E-04
 3 10-1.25262156E-02-3.75683542E-02-2.70695848E-02-2.82363071E-03-2.75999037E-03
 3 11 4.07496675E-03 2.25477362E-03-7.06884309E-03 3.30744933E-03 6.70329019E-03
 3 12 1.92913271E-01 2.68419337E-01 7.51818157E-02 3.84816655E-04 6.90542211E-03
 3 13-1.19605403E-02-4.57009295E-03 1.33154825E-02-2.30630901E-02-8.22492821E-03
 3 14-1.25262160E-02-3.75683532E-02-2.70695812E-02-2.82363050E-03-2.14902924E-03
 3 15 4.42770518E-03 2.25477378E-03 6.70086573E-04 7.77552164E-03 6.70329028E-03
 4  1-6.58395641E-02-1.17915197E-01 7.65222435E-09-3.02027805E-10-2.25392567E-01
 4  2 3.09874245E-01 1.11766732E-08-4.51260586E-10-3.27935060E-01 4.82772486E-01
 4  3 9.21922700E-09-5.99072332E-11-3.29997506E-01 4.92674001E-02 3.73483812E-09
 4  4-5.96070775E-11-9.03797431E-02-4.90901023E-03-4.90901020E-03-5.81235189E-03
 4  5 6.63315141E-12 6.62159163E-11-6.44037842E-12-7.73328910E-03-7.73328968E-03
 4  6-3.09624753E-02 3.21248982E-11 1.01695287E-09-3.51568995E-11-2.43817200E-02
 4  7-2.43817219E-02-5.82135142E-02 3.93366148E-11 1.31143227E-09 1.17173353E-11
 4  8 2.45863895E-03 3.60166601E-11-4.92927415E-03-1.63254212E-11-6.10849561E-03
 4  9-3.29860992E-03-6.10849541E-03-3.82013956E-11 2.99030934E-12-1.47008396E-11
 4 10-6.28754927E-03-5.53684768E-02-1.38240969E-02-3.54556692E-03-4.94923502E-04
 4 11-8.57232960E-04-8.14357410E-03-7.14544561E-03-1.23762763E-02-1.44751110E-02
 4 12-6.28754965E-03-5.53684775E-02-1.38240971E-02-3.54556679E-03-4.94923515E-04
 4 13 8.57232985E-04-8.14357408E-03-7.14544566E-03 1.23762765E-02-1.44751110E-02
 4 14-6.28754820E-03-5.53684767E-02-1.38240972E-02-3.54556837E-03 9.89847607E-04
 4 15-1.27259490E-11-8.14357427E-03 1.42908929E-02-9.28680553E-11-1.44751102E-02
 FOCK MATRIX ELEMENTS
   -0.7788656494    0.1422818701   -0.7788656580   -0.1422818783 >
    0.1422818701   -0.7788656479   -0.1333910398    0.1333910427 >
   -0.1333910386   -0.5099993592
 LMO CENTROIDS
CT1  -0.5251394459  -0.9095681227   0.3261862484
CT2   1.0502787886  -0.0000000012   0.3261863008
CT3  -0.5251394379   0.9095681275   0.3261862452
CT4   0.0000000197  -0.0000000007  -0.7552424478
 STOP
 CANONVEC                      5                      75
 1  1 5.57492668E-01 4.69366134E-01-1.36809268E-10 0.00000000E+00 3.00040169E-03
 1  2-6.40311700E-04 2.62461541E-10 0.00000000E+00-5.44813122E-03-3.06922692E-03
 1  3 0.00000000E+00-2.00322977E-11 2.54676147E-04-3.24590938E-04 0.00000000E+00
 1  4 0.00000000E+00-2.95636693E-06 1.46232633E-03 1.46232632E-03 1.34926082E-03
 1  5 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.23858280E-03 2.23858278E-03
 1  6 2.33181638E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00875092E-03
 1  7 1.00875091E-03 1.00692173E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
 1  8 1.73547516E-04 0.00000000E+00 2.65557106E-03 0.00000000E+00 1.32870464E-03
 1  9-2.32838673E-04 1.32870460E-03-4.80852059E-11 0.00000000E+00 0.00000000E+00
 1 10 1.36358001E-04 1.00540711E-04-2.02100922E-04 8.14069279E-05-2.73869555E-07
 1 11-4.74371412E-07 9.60437187E-06 1.10877692E-05 1.92046098E-05 2.90922651E-06
 1 12 1.36358003E-04 1.00540731E-04-2.02100917E-04 8.14069256E-05-2.73885365E-07
 1 13 4.74365094E-07 9.60436811E-06 1.10878025E-05-1.92045976E-05 2.90922420E-06
 1 14 1.36357999E-04 1.00540692E-04-2.02100928E-04 8.14069400E-05 5.47753828E-07
 1 15 0.00000000E+00 9.60437015E-06-2.21755581E-05 0.00000000E+00 2.90922992E-06
 2  1-1.06491428E-01-1.87388406E-01-1.54242977E-09 1.28042425E-10 3.28628696E-02
 2  2 4.84439182E-01-2.72154595E-09 2.05493312E-10 5.94328526E-02 4.21904306E-01
 2  3-8.63237591E-10 5.13821098E-11 1.91315089E-02 4.20077782E-02-1.22126142E-11
 2  4 0.00000000E+00 1.39731623E-03-7.94223671E-03-7.94223696E-03-9.02776012E-03
 2  5 0.00000000E+00 4.14547144E-11 0.00000000E+00-1.63431717E-02-1.63431735E-02
 2  6-2.83628284E-02 6.24570497E-11 4.22220928E-11 4.03543968E-11-4.08812780E-02
 2  7-4.08812781E-02-3.84194923E-02 0.00000000E+00-1.68183184E-10 0.00000000E+00
 2  8 3.01632818E-03 2.27064075E-11-3.16471627E-03-2.74634101E-11 2.52373363E-03
 2  9-4.04682964E-03 2.52373305E-03 2.05312999E-10 0.00000000E+00 1.04201333E-11
 2 10 8.89670845E-02 8.60351145E-02 6.70915642E-03-4.06489115E-03 4.74580655E-03
 2 11 8.21997722E-03-2.80876473E-03 4.42790806E-03 7.66936112E-03-2.12167433E-03
 2 12 8.89670846E-02 8.60351145E-02 6.70915644E-03-4.06489113E-03 4.74580649E-03
 2 13-8.21997726E-03-2.80876473E-03 4.42790802E-03-7.66936116E-03-2.12167433E-03
 2 14 8.89670862E-02 8.60351149E-02 6.70915614E-03-4.06489141E-03-9.49161240E-03
 2 15 0.00000000E+00-2.80876520E-03-8.85581528E-03 0.00000000E+00-2.12167467E-03
 3  1 1.08371345E-09 2.10515859E-09-2.11240913E-01-5.56316329E-03-6.26799028E-09
 3  2-5.78192370E-09-3.18779372E-01-8.39525673E-03-9.58372009E-09-1.00878870E-08
 3  3-1.96547935E-01-5.17621445E-03-6.88977124E-09-2.38713481E-09-9.72821077E-03
 3  4-2.56198604E-04-3.57979822E-10-2.82555282E-03 2.82555335E-03 0.00000000E+00
 3  5 8.59244459E-05-3.16784846E-03-8.34272919E-05-1.52041502E-02 1.52041529E-02
 3  6-7.22558107E-10 4.62354918E-04-2.32807643E-02-6.13113660E-04-2.63543413E-04
 3  7 2.63546313E-04-1.89568773E-10 8.01437865E-06-1.28692959E-02-3.38921075E-04
 3  8-6.45331110E-03-1.69952017E-04 2.39572924E-11-7.60049036E-05-8.79537808E-04
 3  9-2.88600798E-03 8.79537556E-04 1.47085270E-03 3.87358362E-05 2.67465379E-05
 3 10 8.76656416E-02 1.30571817E-01 4.36329657E-02 1.36911654E-03-2.13510138E-03
 3 11 6.97890466E-03-2.91232407E-03-2.29398701E-03 1.47766630E-02-6.37020600E-03
 3 12 8.00168613E-02 1.19179496E-01 3.98260129E-02 1.24966187E-03-2.49495737E-03
 3 13-6.68531444E-03-2.65822538E-03-3.05292219E-03-1.40411347E-02-5.81440897E-03
 3 14-1.67682500E-01-2.49751305E-01-8.34589738E-02-2.61877809E-03 9.51853074E-03
 3 15-1.64849216E-04 5.57054946E-03 2.22834861E-02-2.89492798E-04 1.21846155E-02
 4  1 1.28474130E-10 2.38824891E-10-5.56316334E-03 2.11240913E-01-1.09520581E-10
 4  2-6.31265119E-10-8.39525680E-03 3.18779371E-01-1.93492164E-10-1.20168449E-09
 4  3-5.17621471E-03 1.96547943E-01-2.02523382E-10-1.94461636E-10-2.56198639E-04
 4  4 9.72821223E-03 0.00000000E+00-7.44127429E-05 7.44127781E-05 0.00000000E+00
 4  5-3.26266801E-03-8.34272936E-05 3.16784811E-03-4.00411081E-04 4.00411207E-04
 4  6 0.00000000E+00-1.75562452E-02-6.13113666E-04 2.32807628E-02-6.94050330E-06
 4  7 6.94077110E-06 5.95458571E-11-3.04316407E-04-3.38921098E-04 1.28692967E-02
 4  8-1.69952074E-04 6.45331126E-03 1.21478098E-11 2.88600914E-03-2.31632006E-05
 4  9-7.60048245E-05 2.31632013E-05 3.87358288E-05-1.47085238E-03-1.01560277E-03
 4 10-1.43009290E-01-2.13002298E-01-7.11786253E-02-2.23344493E-03-6.89307769E-03
 4 11-5.39408189E-03 4.75088476E-03-1.44793061E-02-1.35850381E-02 1.03917410E-02
 4 12 1.47425316E-01 2.19579658E-01 7.33765708E-02 2.30241216E-03 6.77114208E-03
 4 13-5.75393785E-03-4.89758873E-03 1.43384918E-02-1.43439733E-02-1.07126305E-02
 4 14-4.41602522E-03-6.57735938E-03-2.19794528E-03-6.89671926E-05 2.50676549E-04
 4 15 6.25955035E-03 1.46703957E-04 5.86849718E-04 1.09924368E-02 3.20889611E-04
 5  1-3.14216310E-02-5.74826754E-02 6.38513997E-09 8.96801860E-11-2.51666781E-01
 5  2 1.53964184E-01 9.38372451E-09 1.32254242E-10-3.70375625E-01 3.60551129E-01
 5  3 7.96662503E-09 3.43162013E-10-3.57956780E-01 3.71745690E-02 3.87063768E-09
 5  4-4.20825936E-11-9.66440247E-02-2.34199929E-03-2.34199910E-03-2.90929328E-03
 5  5 0.00000000E+00 2.07045252E-11 0.00000000E+00-2.30014236E-03-2.30014199E-03
 5  6-2.26509900E-02-3.37956636E-11 8.11421317E-10 0.00000000E+00-1.11120009E-02
 5  7-1.11120029E-02-4.79916548E-02 4.30123356E-11 1.31498978E-09 4.04077363E-11
 5  8 1.52158972E-03 3.67797697E-11-4.09581327E-03 0.00000000E+00-7.41270589E-03
 5  9-2.04142629E-03-7.41270545E-03-9.89690201E-11 0.00000000E+00-2.19133354E-11
 5 10-3.89462631E-02-9.00907977E-02-1.71374019E-02-2.29756679E-03-2.24721281E-03
 5 11-3.89228665E-03-7.64394283E-03-9.20614063E-03-1.59455044E-02-1.46279588E-02
 5 12-3.89462629E-02-9.00907976E-02-1.71374018E-02-2.29756665E-03-2.24721277E-03
 5 13 3.89228667E-03-7.64394283E-03-9.20614060E-03 1.59455045E-02-1.46279589E-02
 5 14-3.89462650E-02-9.00908015E-02-1.71374033E-02-2.29756828E-03 4.49442603E-03
 5 15 0.00000000E+00-7.64394277E-03 1.84122828E-02-7.61477253E-11-1.46279577E-02
 6  1 1.61265197E-02 4.55362898E-02 1.86122829E-09-4.45752318E-11-2.04403406E-02
 6  2-4.26463842E-02 2.79324524E-09-7.23804925E-11-3.29946156E-02-2.62658242E-01
 6  3 3.24374857E-09-2.95085310E-10-6.03221328E-02-2.75404862E+00 3.20630958E-08
 6  4-1.58269528E-09-2.68470045E-01 1.11282763E-02 1.11282763E-02 1.12266809E-02
 6  5 0.00000000E+00 1.30781660E-11 0.00000000E+00 4.23294431E-02 4.23294433E-02
 6  6 4.04281437E-02 0.00000000E+00 8.23100875E-11 0.00000000E+00 1.61698626E-01
 6  7 1.61698630E-01 1.83563187E-01-6.45418333E-11 3.34398787E-10-1.26739545E-10
 6  8-7.50937790E-04-2.08927819E-11-8.10914231E-04 0.00000000E+00-1.50884001E-03
 6  9 1.00748912E-03-1.50883985E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
 6 10 1.91724215E-03 8.55831066E-03 3.05988184E-01 8.86506858E-01-1.76934676E-03
 6 11-3.06459830E-03 4.71170663E-04 1.48945721E-03 2.57981636E-03-1.87066599E-03
 6 12 1.91724211E-03 8.55831075E-03 3.05988185E-01 8.86506860E-01-1.76934674E-03
 6 13 3.06459832E-03 4.71170665E-04 1.48945726E-03-2.57981637E-03-1.87066597E-03
 6 14 1.91724222E-03 8.55831382E-03 3.05988181E-01 8.86506838E-01 3.53869343E-03
 6 15 0.00000000E+00 4.71170804E-04-2.97891629E-03 5.37547728E-11-1.87066727E-03
 7  1 2.09647973E-10 9.51566935E-10-3.63121495E-02-1.19088613E-03-1.33801011E-09
 7  2 1.35108657E-09-4.93266051E-02-1.61770566E-03-1.82440820E-09-1.49772748E-08
 7  3 3.00945495E-01 9.86974869E-03 4.81887392E-09-5.51900216E-09-7.38696834E-01
 7  4-2.42261559E-02-1.41998935E-08-8.39189280E-04 8.39190100E-04 2.84424255E-10
 7  5 3.17795610E-05-8.15216493E-04-2.67356758E-05 4.95986561E-03-4.95986327E-03
 7  6 1.89824489E-09-1.87826788E-04 2.56338047E-03 8.40681001E-05 3.70291551E-02
 7  7-3.70291497E-02 9.28666170E-09-1.40226956E-03 6.15278463E-02 2.01785494E-03
 7  8-1.14922151E-03-3.76896719E-05-1.01173695E-10-1.68553289E-05 3.26804968E-04
 7  9-5.13947159E-04-3.26805671E-04-4.58239483E-04-1.50283448E-05-1.23758970E-05
 7 10 3.54123445E-03 1.07708362E-01 1.53732722E-01-1.80427837E+00-4.85231665E-04
 7 11-1.70946313E-04-3.43257547E-04 6.27701448E-03 4.94385116E-02-1.55987904E-02
 7 12 3.16054645E-03 9.61295544E-02 1.37206224E-01-1.61031576E+00-4.75423676E-04
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73  8 1.96760742E-01-5.63558038E+00 1.53295654E-08-2.52030822E+00 8.43608470E-03
73  9 8.79940777E-02-8.43606867E-03 8.39757428E-02-2.40521580E+00 2.79003705E-01
73 10-3.87959604E-01-9.45479699E-01-1.45549549E-01 1.31266224E-01-1.53853106E-01
73 11-3.34212451E-01 1.22807334E-01-1.85681592E-01-2.32660866E-01 1.13044395E-01
73 12 4.03922049E-01 9.84381095E-01 1.51538131E-01-1.36667122E-01 1.64734908E-01
73 13-3.45335636E-01-1.27860193E-01 1.87343945E-01-2.45684687E-01-1.17695563E-01
73 14-1.59624499E-02-3.89013990E-02-5.98857980E-03 5.40089815E-03 1.50738656E-02
73 15-6.38687684E-02 5.05286134E-03 1.21101368E-02 8.38767829E-02 4.65116886E-03
74  1-7.68098099E-01 3.64007769E+00-2.09806172E-09-3.98225937E-10 1.06441208E-01
74  2-1.53310482E+01 1.32834370E-08 1.43893591E-09-3.78802013E-01-6.57498114E+00
74  3 1.07327028E-08 4.99324940E-10 7.68435175E-02-9.90430458E-01-6.22570342E-09
74  4 4.91139537E-10 1.81201362E-02 3.37886756E+00 3.37886759E+00 3.52770655E+00
74  5-1.04516403E-09-7.60391222E-09 1.33455400E-10 6.42642075E+00 6.42642069E+00
74  6 6.14360191E+00 1.97474758E-09 1.69037915E-08-1.91487850E-10 1.95151744E+00
74  7 1.95151743E+00 1.93117830E+00 7.51052765E-11 2.23063490E-09 2.29499861E-10
74  8 1.81029188E-01 5.61164633E-10 1.66947370E-01-2.31936293E-09 2.33459750E-01
74  9-2.42876156E-01 2.33459708E-01 9.40537655E-09-3.69309309E-10 9.19369805E-10
74 10-2.14440134E-01-7.44196789E-03-2.01404454E-01 1.58386977E-01-9.48979572E-02
74 11-1.64368064E-01 9.37446819E-02 9.58189373E-03 1.65963236E-02-1.78315079E-02
74 12-2.14440133E-01-7.44196850E-03-2.01404454E-01 1.58386977E-01-9.48979554E-02
74 13 1.64368064E-01 9.37446815E-02 9.58189329E-03-1.65963233E-02-1.78315078E-02
74 14-2.14440164E-01-7.44199057E-03-2.01404468E-01 1.58386997E-01 1.89795907E-01
74 15 0.00000000E+00 9.37446959E-02-1.91637730E-02-1.10838711E-10-1.78315041E-02
75  1-2.11839566E+00 1.66548742E+00 6.27244299E-11 0.00000000E+00 2.08050810E-03
75  2 4.13276756E+00 1.79152955E-10 0.00000000E+00-6.47052554E-03 3.83019031E-01
75  3-5.82249775E-10 9.72623279E-11 3.14066820E-03-1.96796204E-02 1.27629754E-09
75  4-7.78551417E-11-1.03535704E-02-1.07570532E+00-1.07570532E+00-1.07179219E+00
75  5-1.97156184E-11-2.74236946E-10 0.00000000E+00-1.18924713E+00-1.18924714E+00
75  6-1.20724933E+00 8.67665197E-11 1.43656861E-09 2.16501981E-11-9.79501690E-02
75  7-9.79501697E-02-9.80199410E-02 0.00000000E+00-1.29927012E-10 3.13725198E-11
75  8 1.13619711E-02 1.22408052E-10 3.69306824E-03-1.04975573E-10 1.20590499E-02
75  9-1.52436833E-02 1.20590465E-02 8.26125995E-10 0.00000000E+00 4.22801725E-11
75 10-4.09014414E-03-2.38167013E-02 3.59176141E-02-3.21282645E-03-9.82158548E-03
75 11-1.70114832E-02 8.39899834E-03 2.80903678E-03 4.86539340E-03-3.53130182E-03
75 12-4.09014410E-03-2.38167014E-02 3.59176141E-02-3.21282637E-03-9.82158533E-03
75 13 1.70114833E-02 8.39899833E-03 2.80903670E-03-4.86539341E-03-3.53130182E-03
75 14-4.09014698E-03-2.38167019E-02 3.59176147E-02-3.21282740E-03 1.96431716E-02
75 15 0.00000000E+00 8.39900016E-03-5.61807295E-03-2.41837944E-11-3.53130210E-03
 CANONFOK
  -15.5352312987   -1.1472011475   -0.6365837875   -0.6365837703 >
   -0.4262276092    0.0423504511    0.0731485222    0.0731485231 >
    0.1788397864    0.2174075480    0.2174075504    0.2209750959 >
    0.3019386700    0.3019386702    0.3097721358    0.6010998289 >
    0.6010998341    0.6341737618    0.6341737649    0.7097883337 >
    0.7469021020    0.8855808163    0.9302924117    0.9302924242 >
    0.9581213602    1.0383784002    1.0383784100    1.1038097693 >
    1.1813575083    1.1813575147    1.3402143529    1.4676088747 >
    1.4676088771    1.6562756487    1.6562756688    1.7402204536 >
    2.0609996307    2.6022378834    2.6022378907    2.7809726006 >
    2.8241572941    2.8241573182    2.9544020446    3.3814014735 >
    3.3814014860    3.6429023684    3.8031622536    3.8031622543 >
    3.9772839785    4.0118198225    4.1305555926    4.1305556145 >
    4.3852942435    4.3852942600    4.6475250798    4.7712528188 >
    4.8030319965    4.8030320480    5.0807588971    5.0807589353 >
    5.1831976637    5.2146327128    6.6072593434    6.6072593688 >
    6.9319799610   10.7958837036   10.7958837136   11.0624750219 >
   11.4634688871   11.4634689351   12.0163482520   12.2933372872 >
   12.2933373201   13.5907079237   44.4597693073
 STOP
SCREEN2      (FROM VDWSCL=   0.700)
 A01N1      1.000000000   1.638453384
 A02H2      1.000000000   2.361046226
 A03H3      1.000000000   2.361038049
 A04H4      1.000000000   2.188921079
 BO21       1.000000000  10.000000000
 BO31       1.000000000  10.000000000
 BO41       1.000000000  10.000000000
STOP
SCREEN       (FROM VDWSCL=   0.700)
 A01N1      1.000000000   0.776311595
 A02H2      1.000000000   0.941878819
 A03H3      1.000000000   0.941873841
 A04H4      1.000000000   0.900139845
 BO21       1.000000000  10.000000000
 BO31       1.000000000  10.000000000
 BO41       1.000000000  10.000000000
STOP
 $END
psi4-data 1:0.3-5 / usr / share / psi / efpfrag / nh3.efp
