%chk=000005454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005454

0 1
 S   -4.731200      -1.938200      0.9694000    
 S   -1.804400       3.081500      -1.551900    
 O   -3.980600      -2.375000       2.141600    
 O   -6.136400      -1.583500       1.136400    
 N    4.044600      -1.084700     -0.4889000    
 N    6.686900      -2.063600      0.1583000    
 N   -4.604500      -3.152000     -0.2569000    
 C    4.509200      -1.161900      0.9016000    
 C    4.696100      -2.117000      -1.304400    
 C    6.034600      -1.032800      0.9751000    
 C    6.221400      -1.987000      -1.231800    
 C    2.590100      -1.209800     -0.5578000    
 C    1.923400     -6.4199999E-02  0.2027000    
 C    8.141300      -1.936500      0.2265000    
 C   0.4335000     -0.1657000      0.1251000    
 C  -0.3904000      0.9002000      0.1412000    
 C   -1.846900      0.6918000     -7.8599997E-02
 C   0.1940000       2.264500      0.2432000    
 C   -2.574100       1.637600     -0.8259000    
 C   -2.533200     -0.4011000      0.4797000    
 C  -0.3898000       3.320900     -0.4816000    
 C   -3.902900     -0.5688000      0.2707000    
 C   -3.949400       1.456100      -1.035700    
 C    1.287500       2.543100       1.082000    
 C   -4.609200      0.3561000     -0.4903000    
 C   0.1480000       4.613500     -0.3899000    
 C    1.810600       3.834000       1.171200    
 C    1.244800       4.866900      0.4320000    
 C   -5.202400      -2.853500      -1.583100    
 C   -3.310800      -3.870800     -0.3798000    
 H    4.191400      -2.100700       1.374600    
 H    4.126000     -0.3356000       1.506600    
 H    4.391700      -2.009100      -2.352600    
 H    4.395400      -3.122000     -0.9784000    
 H    6.336700     -2.7500000E-02  0.6506000    
 H    6.340700      -1.143100       2.022600    
 H    6.665000      -2.802100      -1.816600    
 H    6.533900      -1.042600      -1.698200    
 H    2.259500      -2.179000     -0.1598000    
 H    2.269600      -1.167700      -1.607400    
 H    2.171800     -0.1382000       1.264200    
 H    2.324600      0.8507000     -0.2402000    
 H    8.488000      -2.039700       1.260800    
 H    8.492400     -0.9730000     -0.1603000    
 H    8.624100      -2.735000     -0.3477000    
 H   3.1900000E-02  -1.171300      2.1000000E-02
 H   -1.995000      -1.123800       1.088600    
 H   -4.523800       2.170400      -1.621600    
 H    1.698600       1.813200       1.770800    
 H   -5.674200      0.2436000     -0.6717000    
 H  -0.2839000       5.439200     -0.9512000    
 H    2.643700       4.037000       1.838000    
 H    1.648800       5.872400      0.5043000    
 H   -6.164200      -2.346200      -1.468200    
 H   -5.393500      -3.790500      -2.115800    
 H   -4.530400      -2.236000      -2.185500    
 H   -2.970900      -4.220500      0.5986000    
 H   -2.549300      -3.225100     -0.8253000    
 H   -3.437300      -4.755300      -1.012500    


%chk=000005454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005454

0 1
S -4.692048 -1.931712 1.015253
S -1.770476 3.095890 -1.870534
O -3.807761 -2.325349 2.322127
O -6.281211 -1.594607 1.070802
N 4.128213 -1.130287 -0.327142
N 6.754385 -2.330973 -0.026838
N -4.549468 -3.431630 -0.144701
C 4.571770 -1.705510 0.968222
C 4.788805 -1.840537 -1.453161
C 6.101520 -1.624669 1.099426
C 6.317756 -1.754913 -1.320019
C 2.656450 -1.090000 -0.475358
C 2.000539 0.018541 0.387518
C 8.222246 -2.375280 0.107647
C 0.499833 0.024832 0.219507
C -0.352007 1.097162 0.110805
C -1.805469 0.853358 -0.138739
C 0.079523 2.521442 0.211420
C -2.561174 1.691478 -1.009199
C -2.482677 -0.230436 0.483363
C -0.484588 3.521015 -0.628641
C -3.831287 -0.462043 0.183203
C -3.931541 1.451405 -1.271949
C 1.038640 2.944255 1.174099
C -4.586492 0.353305 -0.678546
C -0.070468 4.869368 -0.560524
C 1.461411 4.286664 1.251550
C 0.917426 5.251493 0.372096
C -5.289554 -3.189346 -1.404349
C -3.133900 -3.835180 -0.303188
H 4.257118 -2.776124 1.062573
H 4.111373 -1.139712 1.798302
H 4.475710 -1.365393 -2.401648
H 4.493915 -2.919800 -1.488078
H 6.401994 -0.545856 1.139303
H 6.414201 -2.102879 2.046806
H 6.790741 -2.325796 -2.141233
H 6.627713 -0.682730 -1.419109
H 2.184908 -2.078302 -0.227996
H 2.428521 -0.883004 -1.538350
H 2.253779 -0.158302 1.454880
H 2.447285 0.991391 0.117023
H 8.494154 -2.870523 1.057276
H 8.701205 -1.362754 0.096586
H 8.653995 -2.965521 -0.720699
H 0.051075 -0.975778 0.114634
H -1.972074 -0.857159 1.222151
H -4.487199 2.131339 -1.925450
H 1.434283 2.210046 1.881965
H -5.653066 0.166174 -0.836579
H -0.528368 5.615148 -1.218733
H 2.204154 4.580892 2.000373
H 1.238724 6.296944 0.426349
H -6.282051 -2.775585 -1.160266
H -5.440184 -4.170581 -1.890122
H -4.762171 -2.517133 -2.118808
H -2.658717 -3.862374 0.691525
H -2.548584 -3.179504 -0.987887
H -3.129731 -4.862260 -0.711142


