$DATA  
Mo4OCl4 - 6-31(d) for O; LANL2DZ ECP for Mo & Cl                                
C1       1
MO         42.0      0.0003250000     -0.0003250000      0.0518100000
   S       3
     1              2.3610000000 -0.91217600
     2              1.3090000000  1.14774530
     3              0.4500000000  0.60971090
   S       4
     1              2.3610000000  0.81392590
     2              1.3090000000 -1.13600840
     3              0.4500000000 -1.16115920
     4              0.1681000000  1.00647860
   S       1
     1              0.0423000000  1.00000000
   P       3
     1              4.8950000000 -0.09082580
     2              1.0440000000  0.70428990
     3              0.3877000000  0.39731790
   P       2
     1              0.4995000000 -0.10819450
     2              0.0780000000  1.03680930
   P       1
     1              0.0247000000  1.00000000
   D       3
     1              2.9930000000  0.05270630
     2              1.0630000000  0.50039070
     3              0.3721000000  0.57940240
   D       1
     1              0.1178000000  1.00000000
        
O           8.0      0.0002060000     -0.0002060000      1.7415040000
   S       6
     1           5484.6717000000  0.00183110
     2            825.2349500000  0.01395010
     3            188.0469600000  0.06844510
     4             52.9645000000  0.23271430
     5             16.8975700000  0.47019300
     6              5.7996353000  0.35852090
   L       3
     1             15.5396160000 -0.11077750  0.07087430
     2              3.5999336000 -0.14802630  0.33975280
     3              1.0137618000  1.13076700  0.72715860
   L       1
     1              0.2700058000  1.00000000  1.00000000
   D       1
     1              0.8000000000  1.00000000
        
CL         17.0      1.7117270000     -1.7117270000     -0.6598460000
   S       2
     1              2.2310000000 -0.49005890
     2              0.4720000000  1.25426840
   S       1
     1              0.1631000000  1.00000000
   P       2
     1              6.2960000000 -0.06356410
     2              0.6333000000  1.01413550
   P       1
     1              0.1819000000  1.00000000
        
CL         17.0     -1.7109920000     -1.7117380000     -0.6600790000
   S       2
     1              2.2310000000 -0.49005890
     2              0.4720000000  1.25426840
   S       1
     1              0.1631000000  1.00000000
   P       2
     1              6.2960000000 -0.06356410
     2              0.6333000000  1.01413550
   P       1
     1              0.1819000000  1.00000000
        
CL         17.0     -1.7110040000      1.7110040000     -0.6603110000
   S       2
     1              2.2310000000 -0.49005890
     2              0.4720000000  1.25426840
   S       1
     1              0.1631000000  1.00000000
   P       2
     1              6.2960000000 -0.06356410
     2              0.6333000000  1.01413550
   P       1
     1              0.1819000000  1.00000000
        
CL         17.0      1.7117380000      1.7109920000     -0.6600790000
   S       2
     1              2.2310000000 -0.49005890
     2              0.4720000000  1.25426840
   S       1
     1              0.1631000000  1.00000000
   P       2
     1              6.2960000000 -0.06356410
     2              0.6333000000  1.01413550
   P       1
     1              0.1819000000  1.00000000
        
 $END      
--- CLOSED SHELL ORBITALS --- GENERATED AT Mon Aug  5 13:04:58 2019
Mo4OCl4 - 6-31(d) for O; LANL2DZ ECP for Mo & Cl                                
E(R-B3LYP)=     -202.6290983070, E(NUC)=  193.0846777663,   24 ITERS
 $VEC   
 1  1 3.69958248E-04 2.47501722E-04-3.49702198E-05 2.14607121E-08-2.14744308E-08
 1  2-2.94172273E-04 1.85460513E-07-1.85584143E-07-2.44324513E-03-1.60318417E-08
 1  3 1.60585494E-08 2.10944110E-04-5.70326725E-04-5.70326724E-04-8.43114638E-05
 1  4 1.47109338E-10-3.89872891E-08 3.89899836E-08 2.69646609E-04 2.69646609E-04
 1  5-1.82991072E-03-2.20159026E-09 1.63173676E-07-1.63140407E-07 9.92720580E-01
 1  6 2.55809000E-02 3.28754170E-08-3.28708832E-08-4.51472025E-04 1.30651305E-02
 1  7 2.62770514E-08-2.62678991E-08-3.70515446E-04-8.20286466E-03-8.20286466E-03
 1  8-8.24221161E-03 1.46441039E-10 3.20620245E-09-3.21067081E-09 2.69734958E-05
 1  9-2.72504776E-04-1.56580166E-05 1.56580180E-05-5.28422535E-05 1.33738978E-04
 1 10-1.33738970E-04 1.22498771E-04 2.69701795E-05-2.72486748E-04 1.56653128E-05
 1 11 1.56568469E-05-5.28405481E-05-1.33753297E-04-1.33731544E-04 1.22483195E-04
 1 12 2.69679779E-05-2.72472746E-04 1.56643867E-05-1.56643702E-05-5.28385072E-05
 1 13-1.33747653E-04 1.33747631E-04 1.22466256E-04 2.69700607E-05-2.72486540E-04
 1 14-1.56568032E-05-1.56652836E-05-5.28405416E-05 1.33731445E-04 1.33753227E-04
 1 15 1.22483202E-04
 2  1 1.04962922E+00 1.35763745E-02 3.21917237E-03-3.00723173E-07 3.28928099E-07
 2  2 9.27538594E-03 3.88233692E-07-4.00932159E-07-5.38515162E-03-5.57185095E-08
 2  3 5.79024214E-08 8.53474558E-04-2.95247838E-02-2.95247820E-02-7.10522479E-03
 2  4 7.17716931E-09-1.82464349E-06 1.81408964E-06 4.69401534E-03 4.69401460E-03
 2  5-6.02263460E-03-1.05482804E-08 8.73682108E-07-8.66793631E-07-6.27782367E-03
 2  6 1.05405195E-02 8.19441591E-07-8.19591722E-07-1.15859922E-02 1.08077247E-02
 2  7 1.01788650E-07-1.01061696E-07-1.71063369E-03-1.24619874E-03-1.24619874E-03
 2  8 2.01376866E-03-2.28428842E-09-2.61289460E-07 2.60704499E-07 9.16737508E-04
 2  9-1.95767211E-03-4.50127719E-04 4.50127304E-04 1.89331324E-04-1.74410238E-04
 2 10 1.74412027E-04-1.19364894E-04 9.16681205E-04-1.95766040E-03 4.50067568E-04
 2 11 4.50088758E-04 1.89373267E-04 1.74386852E-04 1.74379618E-04-1.19335689E-04
 2 12 9.16622413E-04-1.95765964E-03 4.50026157E-04-4.50025604E-04 1.89414214E-04
 2 13 1.74350042E-04-1.74350308E-04-1.19312201E-04 9.16677991E-04-1.95764590E-03
 2 14-4.50086071E-04-4.50065863E-04 1.89373120E-04-1.74388979E-04-1.74393774E-04
 2 15-1.19334931E-04
 3  1-2.34748474E-02 5.66795137E-03 1.65892186E-03-6.92328191E-05 6.89501567E-05
 3  2 9.68357180E-01-2.50938319E-07 2.60718187E-07 3.22514080E-03 1.69605820E-08
 3  3-1.81997207E-08-1.03617787E-05-8.59416089E-03-8.59415880E-03 1.77154159E-02
 3  4-5.67776410E-09-1.93546857E-06 1.95801870E-06-1.95836587E-03-1.95836631E-03
 3  5-1.82809324E-03 8.35636994E-09 5.65552647E-08-5.82872027E-08-3.44337445E-02
 3  6 7.89027770E-02 4.10623926E-06-4.10824075E-06-5.83611249E-02 2.76738078E-02
 3  7 3.45567119E-07-3.48613550E-07-5.31466999E-03 1.07537019E-03 1.07537016E-03
 3  8 1.53164643E-02-1.60625756E-09-1.14840363E-06 1.15003229E-06-2.45126395E-03
 3  9-4.90999369E-04 1.86329075E-03-1.86329043E-03 4.11971556E-05 6.75227296E-05
 3 10-6.75248345E-05 7.70358722E-04-2.45110195E-03-4.90968591E-04-1.86319525E-03
 3 11-1.86318082E-03 4.09346406E-05-6.76202685E-05-6.75214032E-05 7.70359529E-04
 3 12-2.45093089E-03-4.90926748E-04-1.86307907E-03 1.86307940E-03 4.06733748E-05
 3 13-6.76135357E-05 6.76128937E-05 7.70362160E-04-2.45110606E-03-4.90979860E-04
 3 14 1.86318228E-03 1.86319661E-03 4.09340986E-05 6.75273979E-05 6.76251555E-05
 3 15 7.70357761E-04
 4  1-5.02939471E-08-2.66495703E-08-2.86971795E-08 6.84073143E-01 7.24286768E-01
 4  2-2.67826109E-06 8.24349225E-04 8.72860801E-04-3.20854495E-08 2.43631845E-04
 4  3 2.57949315E-04 4.85297873E-09 1.49403384E-07-1.25426885E-07 1.16677358E-08
 4  4 2.75692053E-08 5.93297567E-04 6.28178554E-04 2.12983971E-07-1.38517975E-07
 4  5 8.46696686E-09-1.08928659E-08-1.29850003E-03-1.37485675E-03-7.02872184E-09
 4  6 1.04681667E-08 7.90683596E-03 8.37164415E-03-4.38609569E-08 3.29363815E-08
 4  7 3.53137365E-03 3.73896605E-03-1.66571391E-08 2.58997713E-07-2.77857242E-07
 4  8 1.63260300E-08 9.18895811E-09-2.14442011E-03-2.27048080E-03-2.54737283E-04
 4  9-1.33170300E-04 5.52480219E-04 2.36032596E-04-7.11923947E-05 8.84102035E-04
 4 10 7.80023426E-04-4.20198057E-05-8.92094588E-03-4.66362105E-03-5.55197556E-03
 4 11-5.52978904E-03-2.49394412E-03-1.84597188E-03-1.79867156E-03-1.47164745E-03
 4 12 2.54714152E-04 1.33113725E-04 5.52381963E-04 2.35975449E-04 7.12295992E-05
 4 13 8.84045552E-04 7.80033563E-04 4.20182030E-05 8.92094915E-03 4.66360913E-03
 4 14-5.55230716E-03-5.52946394E-03 2.49394265E-03-1.84617052E-03-1.79845603E-03
 4 15 1.47163625E-03
 5  1-7.59665738E-08 6.58016766E-07 7.96687696E-07 7.24286769E-01-6.84073145E-01
 5  2 1.00516533E-04 8.72856807E-04-8.24347326E-04 2.65937718E-08 2.57950658E-04
 5  3-2.43632930E-04 5.98527733E-08-1.43379401E-08-5.01711057E-08-1.63185470E-07
 5  4-3.58247850E-07 6.28183044E-04-5.93302445E-04-2.08005771E-07-2.17047462E-07
 5  5-7.83932678E-07-4.09831800E-07-1.37485193E-03 1.29849555E-03-4.42675678E-08
 5  6 7.41388971E-08 8.37163946E-03-7.90683096E-03 1.08629720E-06 1.61728104E-07
 5  7 3.73896230E-03-3.53136926E-03 5.04439418E-07 2.73162430E-07 2.57844836E-07
 5  8-5.39437983E-07-2.95833622E-07-2.27047884E-03 2.14441795E-03 8.92137600E-03
 5  9 4.66366686E-03-5.53002503E-03 5.55254188E-03 2.49333336E-03-1.79866412E-03
 5 10 1.84617310E-03 1.47139024E-03-2.54738699E-04-1.33096091E-04 2.35993310E-04
 5 11-5.52452929E-04-7.11689158E-05 7.80087709E-04-8.84024298E-04-4.18490923E-05
 5 12-8.92048757E-03-4.66355191E-03-5.52921268E-03 5.55172504E-03-2.49454215E-03
 5 13-1.79846123E-03 1.84596814E-03-1.47188583E-03 2.54713683E-04 1.33189853E-04
 5 14 2.36016463E-04-5.52411400E-04 7.12533663E-05 7.79973882E-04-8.84130264E-04
 5 15 4.21894124E-05
 6  1-5.43956101E-02 8.22685940E-02 2.28959158E-02 2.00365351E-05-2.00433804E-05
 6  2-2.85491271E-01 1.79859351E-06-1.83087144E-06-2.12249537E-02-9.23639800E-07
 6  3 9.24994683E-07 1.19075113E-02-6.90137175E-02-6.90137187E-02 1.23703879E-01
 6  4-1.19154508E-08-1.57508430E-05 1.57388001E-05-1.03928223E-02-1.03928215E-02
 6  5-3.52726588E-02-3.24488940E-08 1.92496471E-06-1.90850357E-06-2.27524074E-01
 6  6 5.01841850E-01 4.04965031E-06-4.04452784E-06-5.66806644E-02 5.66603079E-01
 6  7 3.16039149E-06-3.15021509E-06-4.36800707E-02-8.79775118E-03-8.79775135E-03
 6  8 1.54937807E-02 3.14736299E-09-1.99166457E-06 1.99097480E-06 5.14396471E-03
 6  9 2.12530251E-03-1.21985921E-03 1.21985784E-03-2.73027054E-04-2.29184927E-04
 6 10 2.29191692E-04-9.00269088E-04 5.14368082E-03 2.12532400E-03 1.21981506E-03
 6 11 1.21975169E-03-2.72838784E-04 2.29380854E-04 2.29323404E-04-9.00140351E-04
 6 12 5.14337586E-03 2.12529958E-03 1.21970425E-03-1.21970524E-03-2.72644754E-04
 6 13 2.29498902E-04-2.29496676E-04-9.00028579E-04 5.14369650E-03 2.12536442E-03
 6 14-1.21975002E-03-1.21981367E-03-2.72839597E-04-2.29341397E-04-2.29395153E-04
 6 15-9.00138837E-04
 7  1-4.03249459E-02 5.03887165E-02 4.64054929E-02-1.21388153E-05 1.12359264E-05
 7  2 4.10159166E-02 6.93282168E-06-8.00905053E-06-3.02223647E-02 1.02546317E-07
 7  3-1.56096174E-07 1.80910168E-03 2.94376666E-02 2.94376666E-02-2.59194235E-02
 7  4 8.93545893E-07 8.31102100E-07-1.33410418E-06 8.91700886E-03 8.91700793E-03
 7  5-2.32014133E-02-2.09451938E-06 4.52505349E-07 1.29060652E-07 5.58034160E-03
 7  6-1.47799330E-02-3.82874221E-07 3.28804887E-07-5.18773856E-04-1.41432345E-03
 7  7-3.01681780E-07 3.05355850E-07 3.63270259E-03 4.34909399E-04 4.34909418E-04
 7  8-1.76128179E-03 5.01694050E-08 1.97335699E-07-1.94269402E-07 2.91514202E-01
 7  9 1.96941520E-01-1.38296394E-02 1.38296368E-02 4.95229632E-03-4.12721223E-03
 7 10 4.12752502E-03 1.73309453E-03 2.91461682E-01 1.96907932E-01 1.38274219E-02
 7 11 1.38267098E-02 4.95335951E-03 4.12689021E-03 4.12799015E-03 1.73380784E-03
 7 12 2.91406854E-01 1.96870311E-01 1.38244993E-02-1.38245213E-02 4.95454440E-03
 7 13 4.12634319E-03-4.12607029E-03 1.73309528E-03 2.91469252E-01 1.96914295E-01
 7 14-1.38269126E-02-1.38276083E-02 4.95340759E-03-4.12856646E-03-4.12742785E-03
 7 15 1.73391533E-03
 8  1 2.89880239E-07-6.77246083E-07-3.40329413E-07-5.73002798E-02-5.72471133E-02
 8  2-4.41896704E-07 3.35960075E-02 3.35678873E-02-1.26742525E-06 2.90697290E-03
 8  3 2.90416935E-03 2.44493315E-07 2.06712158E-06-2.97452332E-06 2.18354828E-07
 8  4 3.06927039E-06-2.14238912E-02-2.14037476E-02 3.22195704E-06-6.52942911E-07
 8  5-6.00050995E-07-2.43243123E-07-1.42246874E-02-1.42129428E-02-9.03127441E-08
 8  6-8.49512377E-08-2.09376005E-03-2.09178385E-03-1.48279023E-08 1.48870901E-06
 8  7-3.58960572E-04-3.58642140E-04-1.10183515E-07-1.23641547E-07-8.98264612E-08
 8  8-9.54967870E-08 2.71631501E-08 9.88947080E-05 9.88009441E-05 1.80470593E-04
 8  9 1.22729360E-04 4.30062585E-03 4.31233955E-03 1.87673866E-06-2.55075344E-03
 8 10-2.54839259E-03 1.21245927E-06-4.20964424E-01-2.87155871E-01-1.37943661E-02
 8 11-1.37986716E-02-4.52471801E-03-3.04175213E-03-3.04023794E-03-3.40092512E-03
 8 12-2.11301979E-04-1.46793030E-04 4.29946993E-03 4.31301355E-03-2.32858147E-06
 8 13-2.55240432E-03-2.54660395E-03-2.08300138E-06 4.20984660E-01 2.87170000E-01
 8 14-1.37953674E-02-1.37987822E-02 4.52502999E-03-3.04223637E-03-3.04013695E-03
 8 15 3.40101813E-03
 9  1 4.31194680E-06-4.97659276E-06-5.50194493E-06-5.72470438E-02 5.73002092E-02
 9  2-1.16617671E-05 3.35678290E-02-3.35959697E-02 1.02944452E-05 2.90419383E-03
 9  3-2.90699768E-03-1.79407991E-07-3.51175210E-07-3.53346564E-07-2.20360904E-06
 9  4-3.93101666E-05-2.14037146E-02 2.14238533E-02-1.72988102E-06-1.69199485E-06
 9  5 4.70604108E-07-2.46508570E-05-1.42128869E-02 1.42246545E-02-4.67204596E-07
 9  6 1.78375786E-06-2.09177369E-03 2.09375015E-03-3.05431752E-07-2.40469252E-06
 9  7-3.58649190E-04 3.58962423E-04-2.74262303E-07 1.01224423E-07 1.00419051E-07
 9  8 3.93550149E-07 2.35436792E-07 9.88008548E-05-9.88941776E-05 4.21094444E-01
 9  9 2.87245653E-01-1.38030623E-02 1.37992047E-02 4.52584292E-03-3.04098920E-03
 9 10 3.04283631E-03 3.39970696E-03 1.20786239E-06 3.01583824E-06 4.30561322E-03
 9 11-4.30712245E-03-1.22076585E-06-2.54758338E-03 2.55146531E-03 2.51822892E-06
 9 12-4.20854501E-01-2.87080220E-01-1.37943670E-02 1.37905031E-02-4.52391339E-03
 9 13-3.03940807E-03 3.04120416E-03-3.40222876E-03-3.90547089E-04-2.66475347E-04
 9 14 4.31975818E-03-4.29298847E-03-5.42046360E-06-2.54736102E-03 2.55161314E-03
 9 15-8.03374607E-07
10  1 1.07189285E-07 9.43170081E-07 6.09498160E-07 2.62191342E-05-3.10813365E-05
10  2 4.49845495E-07-1.88507958E-05 1.90177608E-05 2.32670761E-06-1.27668825E-06
10  3 1.78746124E-06-4.70231555E-07 3.81766796E-07 3.79746847E-07-3.14152008E-07
10  4-6.66161487E-02 1.40068153E-05-1.60234700E-05-2.32058966E-06-2.38564700E-06
10  5 9.07126848E-07-4.03675874E-02 1.08564849E-05-1.08496336E-05 1.10203279E-07
10  6 2.16461835E-07 8.43541198E-07-1.04734356E-06 3.04436859E-08-2.35699727E-06
10  7 1.60373660E-07-1.70931975E-07 1.51052500E-07 1.63695069E-07 1.65010681E-07
10  8 1.57722586E-07 3.58100217E-04-6.40283910E-08 7.29600659E-08 2.99052272E-01
10  9 2.05331509E-01-9.97546122E-03 9.97574390E-03 6.08113018E-03-8.23554899E-04
10 10 8.23786943E-04-1.75464764E-03-2.99286714E-01-2.05489262E-01-9.98454828E-03
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67 15-3.04230342E-01
68  1 1.18592881E-04 6.39749562E-05 6.74401031E-05-6.46843745E-02 6.62836397E-02
68  2-9.35506261E-06-1.57248222E+00 1.61135715E+00-2.53486110E-04-5.34492365E-02
68  3 5.47705068E-02-6.56297722E-06-4.13011931E-05-4.12103648E-05-5.29493044E-05
68  4-2.78405801E-06-5.44134589E-02 5.57585348E-02-4.59463792E-05-4.73071121E-05
68  5 7.05801117E-05 1.38042811E-04 5.41399918E-01-5.54784237E-01-4.92876660E-07
68  6-4.89773921E-06-5.16666812E-02 5.29439729E-02-8.93342777E-06 3.50026756E-05
68  7 1.47323971E-01-1.50966122E-01 2.04147159E-05 1.47411470E-06 1.50253421E-06
68  8-4.32960560E-06-7.22496772E-06-1.70935152E-02 1.75160878E-02-1.62608928E+00
68  9 2.77751741E+00 1.74344605E-01-1.73325726E-01-5.32730044E-02-6.76017279E-01
68 10 6.70638903E-01 1.83819829E-01-1.97756683E-02 3.37783017E-02-4.38418031E-02
68 11 3.96131162E-02-6.52077073E-04 2.28437868E-01-2.12062708E-01 2.25580230E-03
68 12 1.62608234E+00-2.77748488E+00 1.74335413E-01-1.73316503E-01 5.33163833E-02
68 13-6.75982690E-01 6.70604340E-01-1.83990558E-01 1.99344916E-02-3.40497527E-02
68 14-4.38584367E-02 3.95969235E-02 6.49408737E-04 2.28505851E-01-2.11995882E-01
68 15-2.23525992E-03
69  1 1.65152333E-06 8.67965064E-07-1.17396138E-06 6.62839127E-02 6.46846560E-02
69  2 9.86104586E-08 1.61135818E+00 1.57248323E+00 3.03093533E-06 5.47701412E-02
69  3 5.34488722E-02 1.58437203E-07-7.48582411E-06 6.52595175E-06-2.08982372E-07
69  4 1.66296478E-07 5.57584640E-02 5.44133872E-02 6.82579472E-05-6.76005226E-05
69  5-1.32654792E-06-2.66986297E-06-5.54785034E-01-5.41400747E-01-3.96888185E-08
69  6-1.06952164E-07 5.29439216E-02 5.16666235E-02 1.02831087E-07 3.57508533E-07
69  7-1.50965883E-01-1.47323708E-01-3.04219746E-07-2.41473532E-06 2.07441056E-06
69  8-6.30882034E-08 1.68519245E-07 1.75160312E-02 1.70934544E-02 1.98548188E-02
69  9-3.39140284E-02 3.96038990E-02 4.38490262E-02 6.50513068E-04-2.12030298E-01
69 10-2.28473366E-01-2.24465444E-03-1.62608810E+00 2.77750578E+00-1.73317568E-01
69 11-1.74344077E-01-5.32948026E-02 6.70610446E-01 6.76013563E-01 1.83905575E-01
69 12-1.98553303E-02 3.39140010E-02 3.96059306E-02 4.38510007E-02-6.50984338E-04
69 13-2.12027805E-01-2.28469855E-01 2.24642719E-03 1.62608414E+00-2.77749944E+00
69 14-1.73324684E-01-1.74335966E-01 5.32947164E-02 6.70633592E-01 6.75987215E-01
69 15-1.83905399E-01
70  1-1.76721963E+00-9.88374905E-01-1.41081130E+00-1.68249215E-05 1.66422051E-05
70  2 1.13414592E-01-2.32331183E-04 2.31868645E-04 2.01830163E+00 1.96954475E-05
70  3-1.95383212E-05-1.85074441E-01 6.11680649E-01 6.11680647E-01 4.30723567E-01
70  4-4.64073053E-07 1.34050426E-05-1.32631648E-05-1.52673527E+00-1.52673526E+00
70  5 1.31774532E+00-8.78886844E-10-1.91143214E-04 1.91063140E-04 4.28619242E-02
70  6 2.04969646E-01-6.33603894E-06 6.33558039E-06 7.70752618E-02-1.57260316E+00
70  7 5.06021527E-06-5.00483724E-06-6.08623837E-02 9.32358381E-02 9.32358373E-02
70  8 1.37499364E-01 3.44355407E-09-3.12672409E-06 3.13474322E-06-1.21377920E+00
70  9 2.42244800E+00 1.15555145E-01-1.15555070E-01-5.07648355E-02-6.33222980E-01
70 10 6.33222869E-01 2.81105640E-01-1.21372111E+00 2.42231551E+00-1.15544685E-01
70 11-1.15548191E-01-5.07789789E-02 6.33163676E-01 6.33180728E-01 2.81180632E-01
70 12-1.21366138E+00 2.42217995E+00-1.15537505E-01 1.15537778E-01-5.07930247E-02
70 13 6.33120988E-01-6.33121468E-01 2.81254795E-01-1.21372263E+00 2.42231738E+00
70 14 1.15548600E-01 1.15544906E-01-5.07790358E-02-6.33181457E-01-6.33164057E-01
70 15 2.81180781E-01
71  1 1.47993223E+01 9.27112973E+00 6.32763349E-01-1.81006788E-05 1.80555684E-05
71  2 2.38563466E-01-9.43112351E-05 9.36173769E-05 1.38224222E+00 1.57584829E-05
71  3-1.57087759E-05-2.34893796E-01-3.44260756E+00-3.44260756E+00-3.41870653E+00
71  4-1.08477455E-07-1.62286051E-06 1.61558106E-06-2.03210075E+00-2.03210074E+00
71  5-4.87886283E-01 2.02049804E-07-1.22579751E-04 1.22803694E-04 9.84053306E-02
71  6 3.01745911E-01 4.43315271E-06-4.44910229E-06-5.35754841E-02-2.18220672E+00
71  7-3.59229784E-05 3.59736086E-05 4.72272138E-01 2.74604778E-01 2.74604778E-01
71  8 3.90054550E-01-5.32050618E-09-8.90127448E-06 8.89665376E-06-2.13197106E-01
71  9 7.33729978E-01 3.12872050E-02-3.12872142E-02 7.74352997E-04-1.72941214E-01
71 10 1.72941289E-01 3.70798730E-02-2.13199489E-01 7.33729348E-01-3.12872551E-02
71 11-3.12874063E-02 7.70563079E-04 1.72941293E-01 1.72947177E-01 3.71037342E-02
71 12-2.13202084E-01 7.33729289E-01-3.12874262E-02 3.12874591E-02 7.66832407E-04
71 13 1.72947853E-01-1.72947855E-01 3.71275338E-02-2.13200159E-01 7.33730517E-01
71 14 3.12875535E-02 3.12873607E-02 7.70545392E-04-1.72947584E-01-1.72941625E-01
71 15 3.71038063E-02
 $END   
 POPULATION ANALYSIS
MO          13.58882   0.41118  14.78564  -0.78564
O            8.51181  -0.51181   8.36884  -0.36884
CL           7.47484  -0.47484   7.21137  -0.21137
CL           7.47484  -0.47484   7.21138  -0.21138
CL           7.47485  -0.47485   7.21139  -0.21139
CL           7.47484  -0.47484   7.21138  -0.21138
 MOMENTS AT POINT    1 X,Y,Z=  0.000644 -0.000644 -0.442327
 DIPOLE       0.000013  0.000004  1.364628
----- TOP OF INPUT FILE FOR BADER'S AIMPAC PROGRAM -----
Mo4OCl4 - 6-31(d) for O; LANL2DZ ECP for Mo & Cl                                
GAUSSIAN             26 MOL ORBITALS    126 PRIMITIVES        6 NUCLEI
  MO   1    (CENTRE  1)   0.00061416 -0.00061416  0.09790670  CHARGE = 42.0
  O    2    (CENTRE  2)   0.00038928 -0.00038928  3.29096537  CHARGE =  8.0
  CL   3    (CENTRE  3)   3.23469500 -3.23469500 -1.24692813  CHARGE = 17.0
  CL   4    (CENTRE  4)  -3.23330605 -3.23471578 -1.24736844  CHARGE = 17.0
  CL   5    (CENTRE  5)  -3.23332872  3.23332872 -1.24780686  CHARGE = 17.0
  CL   6    (CENTRE  6)   3.23471578  3.23330605 -1.24736844  CHARGE = 17.0
CENTRE ASSIGNMENTS    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
CENTRE ASSIGNMENTS    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
CENTRE ASSIGNMENTS    1  1  1  1  1  1  1  1  1  1  2  2  2  2  2  2  2  2  2  2
CENTRE ASSIGNMENTS    2  2  2  2  2  2  2  2  2  2  2  2  2  2  2  2  2  2  3  3
CENTRE ASSIGNMENTS    3  3  3  3  3  3  3  3  3  3  4  4  4  4  4  4  4  4  4  4
CENTRE ASSIGNMENTS    4  4  5  5  5  5  5  5  5  5  5  5  5  5  6  6  6  6  6  6
CENTRE ASSIGNMENTS    6  6  6  6  6  6
TYPE ASSIGNMENTS      1  1  1  1  1  1  1  1  2  2  2  3  3  3  4  4  4  2  2  3
TYPE ASSIGNMENTS      3  4  4  2  3  4  5  5  5  6  6  6  7  7  7  8  8  8  9  9
TYPE ASSIGNMENTS      9 10 10 10  5  6  7  8  9 10  1  1  1  1  1  1  1  1  1  2
TYPE ASSIGNMENTS      2  2  3  3  3  4  4  4  1  2  3  4  5  6  7  8  9 10  1  1
TYPE ASSIGNMENTS      1  2  2  3  3  4  4  2  3  4  1  1  1  2  2  3  3  4  4  2
TYPE ASSIGNMENTS      3  4  1  1  1  2  2  3  3  4  4  2  3  4  1  1  1  2  2  3
TYPE ASSIGNMENTS      3  4  4  2  3  4
EXPONENTS  2.3610000E+00 1.3090000E+00 4.5000000E-01 2.3610000E+00 1.3090000E+00
EXPONENTS  4.5000000E-01 1.6810000E-01 4.2300000E-02 4.8950000E+00 1.0440000E+00
EXPONENTS  3.8770000E-01 4.8950000E+00 1.0440000E+00 3.8770000E-01 4.8950000E+00
EXPONENTS  1.0440000E+00 3.8770000E-01 4.9950000E-01 7.8000000E-02 4.9950000E-01
EXPONENTS  7.8000000E-02 4.9950000E-01 7.8000000E-02 2.4700000E-02 2.4700000E-02
EXPONENTS  2.4700000E-02 2.9930000E+00 1.0630000E+00 3.7210000E-01 2.9930000E+00
EXPONENTS  1.0630000E+00 3.7210000E-01 2.9930000E+00 1.0630000E+00 3.7210000E-01
EXPONENTS  2.9930000E+00 1.0630000E+00 3.7210000E-01 2.9930000E+00 1.0630000E+00
EXPONENTS  3.7210000E-01 2.9930000E+00 1.0630000E+00 3.7210000E-01 1.1780000E-01
EXPONENTS  1.1780000E-01 1.1780000E-01 1.1780000E-01 1.1780000E-01 1.1780000E-01
EXPONENTS  5.4846717E+03 8.2523495E+02 1.8804696E+02 5.2964500E+01 1.6897570E+01
EXPONENTS  5.7996353E+00 1.5539616E+01 3.5999336E+00 1.0137618E+00 1.5539616E+01
EXPONENTS  3.5999336E+00 1.0137618E+00 1.5539616E+01 3.5999336E+00 1.0137618E+00
EXPONENTS  1.5539616E+01 3.5999336E+00 1.0137618E+00 2.7000580E-01 2.7000580E-01
EXPONENTS  2.7000580E-01 2.7000580E-01 8.0000000E-01 8.0000000E-01 8.0000000E-01
EXPONENTS  8.0000000E-01 8.0000000E-01 8.0000000E-01 2.2310000E+00 4.7200000E-01
EXPONENTS  1.6310000E-01 6.2960000E+00 6.3330000E-01 6.2960000E+00 6.3330000E-01
EXPONENTS  6.2960000E+00 6.3330000E-01 1.8190000E-01 1.8190000E-01 1.8190000E-01
EXPONENTS  2.2310000E+00 4.7200000E-01 1.6310000E-01 6.2960000E+00 6.3330000E-01
EXPONENTS  6.2960000E+00 6.3330000E-01 6.2960000E+00 6.3330000E-01 1.8190000E-01
EXPONENTS  1.8190000E-01 1.8190000E-01 2.2310000E+00 4.7200000E-01 1.6310000E-01
EXPONENTS  6.2960000E+00 6.3330000E-01 6.2960000E+00 6.3330000E-01 6.2960000E+00
EXPONENTS  6.3330000E-01 1.8190000E-01 1.8190000E-01 1.8190000E-01 2.2310000E+00
EXPONENTS  4.7200000E-01 1.6310000E-01 6.2960000E+00 6.3330000E-01 6.2960000E+00
EXPONENTS  6.3330000E-01 6.2960000E+00 6.3330000E-01 1.8190000E-01 1.8190000E-01
EXPONENTS  1.8190000E-01
MO  1                     OCC NO =   2.00000000 ORB. ENERGY = -18.88889889
  4.58103308E-04 -3.70350601E-04 -8.83275411E-05 -2.73460840E-04  2.45230545E-04
  1.12535472E-04 -4.66088745E-05  2.32468295E-06  2.02294613E-08 -2.27358554E-08
 -3.71828006E-09 -2.02423929E-08  2.27503892E-08  3.72065696E-09 -2.77294927E-04
  3.11651274E-04  5.09682480E-05  1.20106384E-08 -1.12981849E-08 -1.20186448E-08
  1.13057164E-08 -1.58227395E-04  1.48841578E-04  2.23766308E-10 -2.24139083E-10
 -2.94427712E-06  3.36963192E-04  5.22727829E-04  9.64201697E-05  3.36963192E-04
  5.22727829E-04  9.64201697E-05  4.98133065E-05  7.72749137E-05  1.42538045E-05
 -1.50542668E-10 -2.33535424E-10 -4.30769590E-11  3.98971990E-08  6.18921494E-08
  1.14163647E-08 -3.98999564E-08 -6.18964269E-08 -1.14171537E-08 -1.05125646E-05
 -1.05125646E-05  7.13417264E-05  1.48665720E-10 -1.10185498E-08  1.10163033E-08
 -8.25680659E-01 -1.51966409E+00 -2.45911688E+00 -3.23257642E+00 -2.77256299E+00
 -9.47986304E-01  1.58073001E-02  7.05319156E-03 -2.08281643E-02 -1.02470886E-07
 -7.89482510E-08 -3.46625416E-08  1.02456755E-07  7.89373634E-08  3.46577613E-08
  1.40721374E-03  1.08418174E-03  4.76014276E-04 -3.48781680E-03 -7.29009328E-09
  7.28755415E-09  1.02792818E-04  9.13655514E-03  9.13655514E-03  9.18038076E-03
 -2.82514253E-10 -6.18541014E-09  6.19403052E-09  1.71976970E-05 -1.37307518E-05
  4.98453536E-05 -1.41488006E-05  1.27874712E-05  1.41488018E-05 -1.27874724E-05
 -4.77489917E-05  4.31548140E-05 -2.26458675E-05  2.26458662E-05 -2.07425761E-05
  1.71955826E-05 -1.37290636E-05  4.98420560E-05  1.41553935E-05 -1.27934298E-05
  1.41477435E-05 -1.27865159E-05 -4.77474507E-05  4.31534213E-05  2.26482921E-05
  2.26446088E-05 -2.07399387E-05  1.71941789E-05 -1.37279429E-05  4.98394949E-05
  1.41545567E-05 -1.27926735E-05 -1.41545417E-05  1.27926600E-05 -4.77456065E-05
  4.31517545E-05  2.26473364E-05 -2.26473326E-05 -2.07370705E-05  1.71955069E-05
 -1.37290031E-05  4.98420179E-05 -1.41477041E-05  1.27864802E-05 -1.41553671E-05
  1.27934060E-05 -4.77474448E-05  4.31534159E-05 -2.26445919E-05 -2.26482802E-05
 -2.07399400E-05
MO  2                     OCC NO =   2.00000000 ORB. ENERGY =  -2.21686929
  1.29971049E+00 -1.05074239E+00 -2.50599003E-01 -1.50003270E-02  1.34517921E-02
  6.17298216E-03 -2.55666720E-03 -2.13997943E-04 -2.83469986E-07  3.18591412E-07
  5.21032560E-08  3.10056730E-07 -3.48472206E-07 -5.69900376E-08  8.74323552E-03
 -9.82650680E-03 -1.60705210E-03  2.51424652E-08 -2.36510510E-08 -2.59648326E-08
  2.44246368E-08 -3.48748679E-04  3.28061418E-04  7.77697619E-10 -8.08179825E-10
 -1.19124711E-05  1.74439755E-02  2.70606750E-02  4.99149794E-03  1.74439744E-02
  2.70606733E-02  4.99149762E-03  4.19794325E-03  6.51222986E-03  1.20121844E-03
 -7.34467460E-09 -1.13937246E-08 -2.10163836E-09  1.86722816E-06  2.89661348E-06
  5.34297101E-07 -1.85642801E-06 -2.87985930E-06 -5.31206695E-07 -1.83003004E-04
 -1.83002975E-04  2.34801155E-04  7.12288620E-10 -5.89967087E-08  5.85315539E-08
  5.22148698E-03  9.61013945E-03  1.55511052E-02  2.04423532E-02  1.75332938E-02
  5.99493047E-03  6.51334218E-03  2.90624266E-03 -8.58217152E-03 -2.55415485E-06
 -1.96783756E-06 -8.63986857E-07  2.55462280E-06  1.96819809E-06  8.64145149E-07
  3.61129074E-02  2.78230333E-02  1.22158127E-02 -2.88518846E-03 -2.82394225E-08
  2.80377422E-08  4.74584418E-04  1.38804722E-03  1.38804722E-03 -2.24298573E-03
  4.40685234E-09  5.04079984E-07 -5.02951476E-07  5.84491311E-04 -4.66661616E-04
  3.58088618E-04 -4.06741637E-04  3.67606919E-04  4.06741263E-04 -3.67606581E-04
  1.71082405E-04 -1.54621681E-04  2.95326852E-05 -2.95329881E-05  2.02119204E-05
  5.84455414E-04 -4.66632955E-04  3.58086476E-04  4.06687284E-04 -3.67557795E-04
  4.06706432E-04 -3.67575101E-04  1.71120305E-04 -1.54655935E-04 -2.95287253E-05
 -2.95275003E-05  2.02069751E-05  5.84417929E-04 -4.66603027E-04  3.58086336E-04
  4.06649865E-04 -3.67523976E-04 -4.06649365E-04  3.67523525E-04  1.71157306E-04
 -1.54689375E-04 -2.95224923E-05  2.95225373E-05  2.02029979E-05  5.84453364E-04
 -4.66631319E-04  3.58083823E-04 -4.06704004E-04  3.67572906E-04 -4.06685744E-04
  3.67556403E-04  1.71120172E-04 -1.54655815E-04  2.95290854E-05  2.95298973E-05
  2.02068467E-05
MO  3                     OCC NO =   2.00000000 ORB. ENERGY =  -1.28252739
  2.90678889E-02 -2.34997433E-02 -5.60462041E-03  6.26243218E-03 -5.61593994E-03
 -2.57713595E-03  1.06737372E-03  1.10278614E-04  6.52607716E-05 -7.33464647E-05
 -1.19952688E-05 -6.49943261E-05  7.30470072E-05  1.19462948E-05 -9.12800281E-01
  1.02589461E+00  1.67777433E-01  1.62510572E-08 -1.52870684E-08 -1.68844128E-08
  1.58828542E-08 -2.08863867E-04  1.96474368E-04  2.36729309E-10 -2.54024733E-10
 -1.44625739E-07 -5.07764368E-03 -7.87690086E-03 -1.45293990E-03 -5.07764244E-03
 -7.87689894E-03 -1.45293954E-03  1.04667077E-02  1.62369051E-02  2.99499101E-03
 -5.81027533E-09 -9.01342545E-09 -1.66257843E-09 -1.98063975E-06 -3.07254781E-06
 -5.66749205E-07  2.00371618E-06  3.10834605E-06  5.73352398E-07 -7.63497371E-05
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END DATA
B3LYP    ENERGY =     -202.6290983070   VIRIAL(-V/T)  =   2.69207141
----- END OF INPUT FILE FOR BADER'S AIMPAC PROGRAM -----