$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 14 12:30:19 2017
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 2.14604340E-08-2.14747090E-08
 1  2-2.94172273E-04 1.85460991E-07-1.85583665E-07-2.44324513E-03-1.60320530E-08
 1  3 1.60583385E-08 2.10944110E-04-5.70326725E-04-5.70326724E-04-8.43114638E-05
 1  4 1.47109430E-10-3.89875345E-08 3.89897380E-08 2.69646609E-04 2.69646609E-04
 1  5-1.82991072E-03-2.20159079E-09 1.63175771E-07-1.63138311E-07 9.92720580E-01
 1  6 2.55809000E-02 3.28775392E-08-3.28687610E-08-4.51472025E-04 1.30651305E-02
 1  7 2.62747558E-08-2.62701950E-08-3.70515446E-04-8.20286466E-03-8.20286466E-03
 1  8-8.24221161E-03 1.46440735E-10 3.20695690E-09-3.20991653E-09 2.69734958E-05
 1  9-2.72504776E-04-1.56580173E-05 1.56580174E-05-5.28422535E-05 1.33738978E-04
 1 10-1.33738970E-04 1.22498771E-04 2.69701789E-05-2.72486748E-04 1.56653132E-05
 1 11 1.56568473E-05-5.28405459E-05-1.33753298E-04-1.33731545E-04 1.22483195E-04
 1 12 2.69679779E-05-2.72472746E-04 1.56643861E-05-1.56643709E-05-5.28385072E-05
 1 13-1.33747653E-04 1.33747631E-04 1.22466256E-04 2.69700613E-05-2.72486540E-04
 1 14-1.56568028E-05-1.56652832E-05-5.28405437E-05 1.33731443E-04 1.33753225E-04
 1 15 1.22483203E-04
 2  1 1.04962922E+00 1.35763745E-02 3.21917237E-03-3.00724816E-07 3.28926456E-07
 2  2 9.27538594E-03 3.88236060E-07-4.00929792E-07-5.38515162E-03-5.57201826E-08
 2  3 5.79007493E-08 8.53474558E-04-2.95247838E-02-2.95247820E-02-7.10522479E-03
 2  4 7.17716970E-09-1.82464312E-06 1.81409001E-06 4.69401534E-03 4.69401460E-03
 2  5-6.02263460E-03-1.05482780E-08 8.73678468E-07-8.66797275E-07-6.27782367E-03
 2  6 1.05405195E-02 8.19441329E-07-8.19591984E-07-1.15859922E-02 1.08077247E-02
 2  7 1.01789638E-07-1.01060707E-07-1.71063369E-03-1.24619874E-03-1.24619874E-03
 2  8 2.01376866E-03-2.28428863E-09-2.61289611E-07 2.60704348E-07 9.16737508E-04
 2  9-1.95767211E-03-4.50127719E-04 4.50127305E-04 1.89331324E-04-1.74410238E-04
 2 10 1.74412027E-04-1.19364894E-04 9.16681206E-04-1.95766040E-03 4.50067567E-04
 2 11 4.50088758E-04 1.89373270E-04 1.74386854E-04 1.74379619E-04-1.19335694E-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 9.16677990E-04-1.95764590E-03
 2 14-4.50086071E-04-4.50065863E-04 1.89373117E-04-1.74388977E-04-1.74393772E-04
 2 15-1.19334926E-04
 3  1-2.34748474E-02 5.66795137E-03 1.65892186E-03-6.92327941E-05 6.89501817E-05
 3  2 9.68357180E-01-2.50937338E-07 2.60719167E-07 3.22514080E-03 1.69598796E-08
 3  3-1.82004239E-08-1.03617787E-05-8.59416089E-03-8.59415880E-03 1.77154159E-02
 3  4-5.67776401E-09-1.93546616E-06 1.95802111E-06-1.95836587E-03-1.95836631E-03
 3  5-1.82809324E-03 8.35637067E-09 5.65543209E-08-5.82881468E-08-3.44337445E-02
 3  6 7.89027770E-02 4.10623973E-06-4.10824029E-06-5.83611249E-02 2.76738078E-02
 3  7 3.45569495E-07-3.48611174E-07-5.31466999E-03 1.07537019E-03 1.07537016E-03
 3  8 1.53164643E-02-1.60625743E-09-1.14840507E-06 1.15003085E-06-2.45126395E-03
 3  9-4.90999369E-04 1.86329074E-03-1.86329043E-03 4.11971556E-05 6.75227280E-05
 3 10-6.75248361E-05 7.70358722E-04-2.45110195E-03-4.90968591E-04-1.86319525E-03
 3 11-1.86318082E-03 4.09346431E-05-6.76202685E-05-6.75214032E-05 7.70359532E-04
 3 12-2.45093089E-03-4.90926748E-04-1.86307907E-03 1.86307940E-03 4.06733748E-05
 3 13-6.76135373E-05 6.76128921E-05 7.70362160E-04-2.45110606E-03-4.90979859E-04
 3 14 1.86318228E-03 1.86319661E-03 4.09340961E-05 6.75273978E-05 6.76251555E-05
 3 15 7.70357758E-04
 4  1-5.02908597E-08-2.66554508E-08-2.87045533E-08 6.84066512E-01 7.24293031E-01
 4  2-2.67921501E-06 8.24341233E-04 8.72868349E-04-3.20856627E-08 2.43629484E-04
 4  3 2.57951546E-04 4.85278650E-09 1.49403636E-07-1.25426330E-07 1.16687705E-08
 4  4 2.75723557E-08 5.93291816E-04 6.28183986E-04 2.12986094E-07-1.38515765E-07
 4  5 8.47406768E-09-1.08889869E-08-1.29848744E-03-1.37486864E-03-7.02709108E-09
 4  6 1.04647371E-08 7.90675931E-03 8.37171655E-03-4.38702041E-08 3.29337800E-08
 4  7 3.53133942E-03 3.73899838E-03-1.66625385E-08 2.58995207E-07-2.77859609E-07
 4  8 1.63302982E-08 9.19137762E-09-2.14439932E-03-2.27050043E-03-2.54818967E-04
 4  9-1.33213001E-04 5.52530852E-04 2.35981758E-04-7.12152240E-05 8.84118503E-04
 4 10 7.80006522E-04-4.20332793E-05-8.92094355E-03-4.66361983E-03-5.55197772E-03
 4 11-5.52978399E-03-2.49394347E-03-1.84597903E-03-1.79866347E-03-1.47164706E-03
 4 12 2.54795828E-04 1.33156424E-04 5.52432589E-04 2.35924618E-04 7.12524396E-05
 4 13 8.84062019E-04 7.80016661E-04 4.20316812E-05 8.92094682E-03 4.66360791E-03
 4 14-5.55230932E-03-5.52945888E-03 2.49394200E-03-1.84617766E-03-1.79844793E-03
 4 15 1.47163587E-03
 5  1-7.59669718E-08 6.58016521E-07 7.96687426E-07 7.24293032E-01-6.84066513E-01
 5  2 1.00516507E-04 8.72864355E-04-8.24339334E-04 2.65934776E-08 2.57952888E-04
 5  3-2.43630569E-04 5.98528285E-08-1.43369821E-08-5.01718342E-08-1.63185375E-07
 5  4-3.58247601E-07 6.28188476E-04-5.93296694E-04-2.08003742E-07-2.17048788E-07
 5  5-7.83932601E-07-4.09831895E-07-1.37486381E-03 1.29848296E-03-4.42675966E-08
 5  6 7.41389140E-08 8.37171185E-03-7.90675431E-03 1.08629682E-06 1.61728372E-07
 5  7 3.73899463E-03-3.53133502E-03 5.04439244E-07 2.73164790E-07 2.57842303E-07
 5  8-5.39437853E-07-2.95833546E-07-2.27049848E-03 2.14439716E-03 8.92137367E-03
 5  9 4.66366564E-03-5.53001997E-03 5.55254404E-03 2.49333270E-03-1.79865603E-03
 5 10 1.84618024E-03 1.47138985E-03-2.54820378E-04-1.33138791E-04 2.35942477E-04
 5 11-5.52503560E-04-7.11917503E-05 7.80070808E-04-8.84040766E-04-4.18625667E-05
 5 12-8.92048524E-03-4.66355070E-03-5.52920762E-03 5.55172720E-03-2.49454150E-03
 5 13-1.79845313E-03 1.84597529E-03-1.47188545E-03 2.54795363E-04 1.33232553E-04
 5 14 2.35965626E-04-5.52462027E-04 7.12762008E-05 7.79956979E-04-8.84146731E-04
 5 15 4.22028866E-05
 6  1-5.43956101E-02 8.22685940E-02 2.28959158E-02 2.00365348E-05-2.00433806E-05
 6  2-2.85491271E-01 1.79859731E-06-1.83086764E-06-2.12249537E-02-9.23641620E-07
 6  3 9.24992862E-07 1.19075113E-02-6.90137175E-02-6.90137187E-02 1.23703879E-01
 6  4-1.19154507E-08-1.57508415E-05 1.57388015E-05-1.03928223E-02-1.03928215E-02
 6  5-3.52726588E-02-3.24488934E-08 1.92495960E-06-1.90850868E-06-2.27524074E-01
 6  6 5.01841850E-01 4.04965061E-06-4.04452753E-06-5.66806644E-02 5.66603079E-01
 6  7 3.16039401E-06-3.15021257E-06-4.36800707E-02-8.79775118E-03-8.79775135E-03
 6  8 1.54937807E-02 3.14736302E-09-1.99166450E-06 1.99097487E-06 5.14396471E-03
 6  9 2.12530251E-03-1.21985921E-03 1.21985784E-03-2.73027054E-04-2.29184928E-04
 6 10 2.29191690E-04-9.00269088E-04 5.14368082E-03 2.12532400E-03 1.21981506E-03
 6 11 1.21975169E-03-2.72838780E-04 2.29380856E-04 2.29323406E-04-9.00140354E-04
 6 12 5.14337586E-03 2.12529958E-03 1.21970425E-03-1.21970524E-03-2.72644754E-04
 6 13 2.29498900E-04-2.29496677E-04-9.00028579E-04 5.14369650E-03 2.12536442E-03
 6 14-1.21975002E-03-1.21981367E-03-2.72839601E-04-2.29341394E-04-2.29395150E-04
 6 15-9.00138835E-04
 7  1-4.03249459E-02 5.03887165E-02 4.64054929E-02-1.21388162E-05 1.12359254E-05
 7  2 4.10159166E-02 6.93282244E-06-8.00904975E-06-3.02223647E-02 1.02546091E-07
 7  3-1.56096389E-07 1.80910168E-03 2.94376666E-02 2.94376666E-02-2.59194235E-02
 7  4 8.93545920E-07 8.31101850E-07-1.33410444E-06 8.91700886E-03 8.91700793E-03
 7  5-2.32014133E-02-2.09451933E-06 4.52505059E-07 1.29060352E-07 5.58034160E-03
 7  6-1.47799330E-02-3.82873534E-07 3.28805573E-07-5.18773856E-04-1.41432345E-03
 7  7-3.01681571E-07 3.05356058E-07 3.63270259E-03 4.34909399E-04 4.34909418E-04
 7  8-1.76128179E-03 5.01694041E-08 1.97335762E-07-1.94269340E-07 2.91514202E-01
 7  9 1.96941520E-01-1.38296394E-02 1.38296368E-02 4.95229632E-03-4.12721224E-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 2.91469253E-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 2.89880831E-07-6.77246811E-07-3.40330388E-07-5.73002809E-02-5.72471123E-02
 8  2-4.41898429E-07 3.35960081E-02 3.35678867E-02-1.26742464E-06 2.90697295E-03
 8  3 2.90416929E-03 2.44493337E-07 2.06712090E-06-2.97452399E-06 2.18355651E-07
 8  4 3.06927389E-06-2.14238915E-02-2.14037472E-02 3.22195686E-06-6.52943102E-07
 8  5-6.00050686E-07-2.43241198E-07-1.42246877E-02-1.42129425E-02-9.03130780E-08
 8  6-8.49504275E-08-2.09376009E-03-2.09178381E-03-1.48286901E-08 1.48870954E-06
 8  7-3.58960578E-04-3.58642134E-04-1.10184051E-07-1.23641552E-07-8.98264662E-08
 8  8-9.54967643E-08 2.71631398E-08 9.88947098E-05 9.88009423E-05 1.80478189E-04
 8  9 1.22734541E-04 4.30062560E-03 4.31233980E-03 1.87682029E-06-2.55075349E-03
 8 10-2.54839254E-03 1.21252124E-06-4.20964424E-01-2.87155871E-01-1.37943660E-02
 8 11-1.37986716E-02-4.52471801E-03-3.04175218E-03-3.04023790E-03-3.40092512E-03
 8 12-2.11309616E-04-1.46798240E-04 4.29946968E-03 4.31301380E-03-2.32866396E-06
 8 13-2.55240438E-03-2.54660390E-03-2.08306324E-06 4.20984660E-01 2.87170001E-01
 8 14-1.37953673E-02-1.37987823E-02 4.52502999E-03-3.04223642E-03-3.04013690E-03
 8 15 3.40101813E-03
 9  1 4.31194676E-06-4.97659275E-06-5.50194495E-06-5.72470428E-02 5.73002102E-02
 9  2-1.16617671E-05 3.35678284E-02-3.35959703E-02 1.02944452E-05 2.90419378E-03
 9  3-2.90699774E-03-1.79407994E-07-3.51175178E-07-3.53346548E-07-2.20360904E-06
 9  4-3.93101666E-05-2.14037142E-02 2.14238537E-02-1.72988109E-06-1.69199480E-06
 9  5 4.70604128E-07-2.46508570E-05-1.42128867E-02 1.42246547E-02-4.67204592E-07
 9  6 1.78375786E-06-2.09177366E-03 2.09375019E-03-3.05431752E-07-2.40469255E-06
 9  7-3.58649183E-04 3.58962430E-04-2.74262298E-07 1.01224430E-07 1.00419050E-07
 9  8 3.93550150E-07 2.35436791E-07 9.88008530E-05-9.88941794E-05 4.21094444E-01
 9  9 2.87245653E-01-1.38030624E-02 1.37992046E-02 4.52584292E-03-3.04098916E-03
 9 10 3.04283635E-03 3.39970696E-03 1.21547875E-06 3.02103365E-06 4.30561347E-03
 9 11-4.30712220E-03-1.22068398E-06-2.54758332E-03 2.55146537E-03 2.51829044E-06
 9 12-4.20854501E-01-2.87080220E-01-1.37943671E-02 1.37905030E-02-4.52391339E-03
 9 13-3.03940803E-03 3.04120420E-03-3.40222876E-03-3.90554705E-04-2.66480543E-04
 9 14 4.31975842E-03-4.29298822E-03-5.42054546E-06-2.54736097E-03 2.55161320E-03
 9 15-8.03436142E-07
10  1 1.07189284E-07 9.43170127E-07 6.09498235E-07 2.62191306E-05-3.10813401E-05
10  2 4.49845517E-07-1.88507943E-05 1.90177623E-05 2.32670760E-06-1.27668780E-06
10  3 1.78746169E-06-4.70231556E-07 3.81766802E-07 3.79746860E-07-3.14152030E-07
10  4-6.66161487E-02 1.40068137E-05-1.60234715E-05-2.32058969E-06-2.38564702E-06
10  5 9.07126820E-07-4.03675874E-02 1.08564845E-05-1.08496339E-05 1.10203282E-07
10  6 2.16461831E-07 8.43541195E-07-1.04734356E-06 3.04436865E-08-2.35699728E-06
10  7 1.60373363E-07-1.70932275E-07 1.51052503E-07 1.63695071E-07 1.65010682E-07
10  8 1.57722586E-07 3.58100217E-04-6.40283246E-08 7.29601324E-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-03-2.99286715E-01-2.05489262E-01-9.98454828E-03
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67 14-1.09891438E-01-1.09885326E-01 7.36270648E-02 4.35073410E-01 4.35046956E-01
67 15-3.04230342E-01
68  1 1.18592881E-04 6.39749561E-05 6.74401030E-05-6.46843712E-02 6.62836430E-02
68  2-9.35506261E-06-1.57248214E+00 1.61135723E+00-2.53486110E-04-5.34492337E-02
68  3 5.47705095E-02-6.56297718E-06-4.13011935E-05-4.12103645E-05-5.29493043E-05
68  4-2.78405800E-06-5.44134560E-02 5.57585376E-02-4.59463757E-05-4.73071155E-05
68  5 7.05801115E-05 1.38042811E-04 5.41399889E-01-5.54784264E-01-4.92876677E-07
68  6-4.89773925E-06-5.16666785E-02 5.29439755E-02-8.93342779E-06 3.50026759E-05
68  7 1.47323963E-01-1.50966129E-01 2.04147158E-05 1.47411450E-06 1.50253424E-06
68  8-4.32960571E-06-7.22496772E-06-1.70935143E-02 1.75160887E-02-1.62608927E+00
68  9 2.77751741E+00 1.74344607E-01-1.73325724E-01-5.32730044E-02-6.76017290E-01
68 10 6.70638892E-01 1.83819829E-01-1.97757514E-02 3.37784437E-02-4.38418120E-02
68 11 3.96131073E-02-6.52079798E-04 2.28437903E-01-2.12062673E-01 2.25581170E-03
68 12 1.62608234E+00-2.77748488E+00 1.74335415E-01-1.73316501E-01 5.33163832E-02
68 13-6.75982701E-01 6.70604329E-01-1.83990558E-01 1.99345748E-02-3.40498948E-02
68 14-4.38584456E-02 3.95969146E-02 6.49411462E-04 2.28505885E-01-2.11995847E-01
68 15-2.23526933E-03
69  1 1.65151100E-06 8.67958959E-07-1.17396639E-06 6.62839160E-02 6.46846527E-02
69  2 9.86120070E-08 1.61135826E+00 1.57248315E+00 3.03094496E-06 5.47701439E-02
69  3 5.34488694E-02 1.58438778E-07-7.48582044E-06 6.52595542E-06-2.08975800E-07
69  4 1.66296625E-07 5.57584668E-02 5.44133844E-02 6.82579502E-05-6.76005196E-05
69  5-1.32655335E-06-2.66987043E-06-5.54785062E-01-5.41400718E-01-3.96883659E-08
69  6-1.06951536E-07 5.29439242E-02 5.16666208E-02 1.02828418E-07 3.57507301E-07
69  7-1.50965890E-01-1.47323700E-01-3.04218368E-07-2.41473592E-06 2.07440995E-06
69  8-6.30914260E-08 1.68519699E-07 1.75160321E-02 1.70934535E-02 1.98549020E-02
69  9-3.39141705E-02 3.96038900E-02 4.38490350E-02 6.50515792E-04-2.12030263E-01
69 10-2.28473400E-01-2.24466384E-03-1.62608809E+00 2.77750578E+00-1.73317566E-01
69 11-1.74344079E-01-5.32948025E-02 6.70610434E-01 6.76013574E-01 1.83905574E-01
69 12-1.98554134E-02 3.39141430E-02 3.96059217E-02 4.38510096E-02-6.50987064E-04
69 13-2.12027770E-01-2.28469890E-01 2.24643660E-03 1.62608414E+00-2.77749944E+00
69 14-1.73324682E-01-1.74335968E-01 5.32947164E-02 6.70633581E-01 6.75987225E-01
69 15-1.83905399E-01
70  1-1.76721963E+00-9.88374905E-01-1.41081130E+00-1.68249215E-05 1.66422050E-05
70  2 1.13414592E-01-2.32331183E-04 2.31868645E-04 2.01830163E+00 1.96954474E-05
70  3-1.95383212E-05-1.85074441E-01 6.11680649E-01 6.11680647E-01 4.30723567E-01
70  4-4.64073050E-07 1.34050426E-05-1.32631648E-05-1.52673527E+00-1.52673526E+00
70  5 1.31774532E+00-8.79014472E-10-1.91143214E-04 1.91063140E-04 4.28619242E-02
70  6 2.04969646E-01-6.33603885E-06 6.33558047E-06 7.70752618E-02-1.57260316E+00
70  7 5.06021533E-06-5.00483718E-06-6.08623837E-02 9.32358381E-02 9.32358373E-02
70  8 1.37499364E-01 3.44356312E-09-3.12672404E-06 3.13474327E-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-01-1.81006787E-05 1.80555685E-05
71  2 2.38563466E-01-9.43112348E-05 9.36173773E-05 1.38224222E+00 1.57584831E-05
71  3-1.57087757E-05-2.34893796E-01-3.44260756E+00-3.44260756E+00-3.41870653E+00
71  4-1.08477456E-07-1.62286067E-06 1.61558093E-06-2.03210075E+00-2.03210074E+00
71  5-4.87886283E-01 2.02049807E-07-1.22579750E-04 1.22803694E-04 9.84053306E-02
71  6 3.01745911E-01 4.43315275E-06-4.44910226E-06-5.35754841E-02-2.18220672E+00
71  7-3.59229787E-05 3.59736083E-05 4.72272138E-01 2.74604778E-01 2.74604778E-01
71  8 3.90054550E-01-5.32050571E-09-8.90127442E-06 8.89665381E-06-2.13197106E-01
71  9 7.33729979E-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 7.70563078E-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 7.70545393E-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  2.02291991E-08 -2.27355608E-08
 -3.71823187E-09 -2.02426550E-08  2.27506839E-08  3.72070515E-09 -2.77294927E-04
  3.11651274E-04  5.09682480E-05  1.20106694E-08 -1.12982141E-08 -1.20186138E-08
  1.13056873E-08 -1.58227395E-04  1.48841578E-04  2.23769257E-10 -2.24136139E-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
 -1.50542762E-10 -2.33535571E-10 -4.30769859E-11  3.98974501E-08  6.18925389E-08
  1.14164366E-08 -3.98997050E-08 -6.18960370E-08 -1.14170818E-08 -1.05125646E-05
 -1.05125646E-05  7.13417264E-05  1.48665755E-10 -1.10186913E-08  1.10161617E-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 -1.02477501E-07
 -7.89533474E-08 -3.46647791E-08  1.02450139E-07  7.89322669E-08  3.46555237E-08
  1.40721374E-03  1.08418174E-03  4.76014276E-04 -3.48781680E-03 -7.28945640E-09
  7.28819109E-09  1.02792818E-04  9.13655514E-03  9.13655514E-03  9.18038076E-03
 -2.82513665E-10 -6.18686562E-09  6.19257535E-09  1.71976970E-05 -1.37307518E-05
  4.98453536E-05 -1.41488012E-05  1.27874718E-05  1.41488012E-05 -1.27874718E-05
 -4.77489917E-05  4.31548140E-05 -2.26458675E-05  2.26458661E-05 -2.07425761E-05
  1.71955822E-05 -1.37290633E-05  4.98420560E-05  1.41553938E-05 -1.27934301E-05
  1.41477439E-05 -1.27865162E-05 -4.77474487E-05  4.31534195E-05  2.26482923E-05
  2.26446090E-05 -2.07399387E-05  1.71941789E-05 -1.37279429E-05  4.98394949E-05
  1.41545561E-05 -1.27926730E-05 -1.41545423E-05  1.27926605E-05 -4.77456065E-05
  4.31517545E-05  2.26473363E-05 -2.26473326E-05 -2.07370705E-05  1.71955073E-05
 -1.37290034E-05  4.98420179E-05 -1.41477037E-05  1.27864799E-05 -1.41553667E-05
  1.27934056E-05 -4.77474467E-05  4.31534177E-05 -2.26445917E-05 -2.26482800E-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  2.83471535E-07 -3.18593153E-07
 -5.21035407E-08 -3.10055181E-07  3.48470465E-07  5.69897529E-08 -8.74323552E-03
  9.82650680E-03  1.60705210E-03 -2.51426185E-08  2.36511952E-08  2.59646794E-08
 -2.44244927E-08  3.48748679E-04 -3.28061418E-04 -7.77720972E-10  8.08156487E-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
  7.34467500E-09  1.13937252E-08  2.10163848E-09 -1.86722779E-06 -2.89661289E-06
 -5.34296993E-07  1.85642839E-06  2.87985989E-06  5.31206804E-07  1.83003004E-04
  1.83002975E-04 -2.34801155E-04 -7.12288462E-10  5.89964629E-08 -5.85317999E-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  2.55415404E-06
  1.96783693E-06  8.63986580E-07 -2.55462362E-06 -1.96819872E-06 -8.64145425E-07
 -3.61129074E-02 -2.78230333E-02 -1.22158127E-02  2.88518846E-03  2.82396964E-08
 -2.80374677E-08 -4.74584418E-04 -1.38804722E-03 -1.38804722E-03  2.24298573E-03
 -4.40685275E-09 -5.04080275E-07  5.02951184E-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  4.66632956E-04 -3.58086475E-04 -4.06687284E-04  3.67557795E-04
 -4.06706432E-04  3.67575101E-04 -1.71120308E-04  1.54655937E-04  2.95287256E-05
  2.95275006E-05 -2.02069759E-05 -5.84417929E-04  4.66603027E-04 -3.58086336E-04
 -4.06649865E-04  3.67523976E-04  4.06649365E-04 -3.67523524E-04 -1.71157306E-04
  1.54689375E-04  2.95224923E-05 -2.95225374E-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 -1.71120169E-04  1.54655812E-04 -2.95290851E-05 -2.95298970E-05
 -2.02068459E-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  6.52607480E-05 -7.33464382E-05
 -1.19952645E-05 -6.49943497E-05  7.30470337E-05  1.19462991E-05 -9.12800281E-01
  1.02589461E+00  1.67777433E-01  1.62509937E-08 -1.52870086E-08 -1.68844763E-08
  1.58829139E-08 -2.08863867E-04  1.96474368E-04  2.36719505E-10 -2.54034547E-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
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END DATA
B3LYP    ENERGY =     -202.6290983070   VIRIAL(-V/T)  =   2.69207141
----- END OF INPUT FILE FOR BADER'S AIMPAC PROGRAM -----