%chk=000050194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050194

0 1
 S   -1.236900       1.902500      0.7085000    
 S    3.558400       2.336100      -1.504800    
 O   -2.858700      -2.408100     -9.8300003E-02
 O   -5.257000      -1.217300     -0.4557000    
 O    1.432600      -1.006600       2.397300    
 O   -5.460900      0.4391000      -2.019300    
 O    3.930200      -1.909800      -1.060800    
 N   -2.963800     -0.1085000      0.3941000    
 N  -2.1199999E-02 -0.9206000      0.5563000    
 N    2.847400      -2.105900     -0.1924000    
 N    4.033500      0.7897000      0.5115000    
 N    5.432800       2.688600      0.3484000    
 C   -2.057300      0.4372000       1.390400    
 C   -1.292300     -0.9010000       1.279100    
 C   -2.503200      -1.375600      0.4191000    
 C   -3.906300      0.6315000     -0.2314000    
 C   -2.801300       2.813700      0.4359000    
 C   -3.881700       1.975700     -0.2062000    
 C    1.203700     -0.9714000       1.199000    
 C   -4.951900     -2.7500000E-02  -1.015500    
 C    2.369700     -0.9797000      0.2446000    
 C    2.994800      0.2679000     -0.2062000    
 C    2.583500      0.9375000      -1.319000    
 C    4.417700       1.895600     -8.6099997E-02
 C    4.388300      -3.183000      -1.488600    
 H   -2.538800      0.5929000       2.363300    
 H   -1.231300      -1.445400       2.229600    
 H  -1.9600000E-02 -0.8909000     -0.4609000    
 H   -2.570500       3.661700     -0.2165000    
 H   -3.161800       3.211800       1.389800    
 H   -4.660800       2.542500     -0.7118000    
 H   -5.956300      -1.691100     -0.9547000    
 H    1.792000      0.6991000      -2.015600    
 H    5.966000       2.465100       1.182300    
 H    5.697500       3.535700     -0.1434000    
 H    3.594700      -3.712500      -2.025000    
 H    4.723800      -3.774700     -0.6312000    
 H    5.233300      -3.037200      -2.166700    


%chk=000050194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050194

0 1
S -1.930503 1.058614 -1.857786
S 5.727418 2.035733 2.114573
O -2.218123 -1.762664 1.655640
O -5.215459 -1.131072 1.823375
O 1.214694 1.607404 1.888523
O -6.463102 -1.555444 -0.096231
O 3.382398 -1.281328 -1.274765
N -3.228918 0.104147 0.425713
N 0.090434 0.193049 0.428858
N 2.271467 -0.694460 -0.603919
N 5.045183 0.257657 0.213947
N 7.409993 0.564316 0.397219
C -2.298239 1.172311 0.000501
C -1.203619 0.536667 0.944402
C -2.234417 -0.634077 1.149964
C -4.433603 -0.206205 -0.235114
C -3.776155 1.115642 -2.338234
C -4.695821 0.275189 -1.491527
C 1.249321 0.741372 0.959826
C -5.467681 -1.032688 0.457701
C 2.539650 0.213588 0.333882
C 3.840386 0.719210 0.797792
C 3.999927 1.661710 1.818107
C 6.106637 0.815057 0.755342
C 2.854727 -2.259824 -2.253678
H -2.642155 2.190233 0.236518
H -1.054659 1.145316 1.853919
H 0.217347 -0.505989 -0.312494
H -3.803332 0.770579 -3.387030
H -4.092594 2.175576 -2.331817
H -5.676376 0.026053 -1.915420
H -5.889811 -1.727571 2.246322
H 3.214524 2.141610 2.394785
H 7.580229 -0.109854 -0.345587
H 8.191733 1.021126 0.855669
H 2.212733 -1.755547 -2.996601
H 2.289500 -3.055480 -1.738312
H 3.754564 -2.672856 -2.734963


