%chk=000039629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039629

0 1
 S   -3.751300       2.017500     -0.8657000    
 O    1.128200      -4.334800      0.1109000    
 O   -1.151700      -3.745500     -0.3863000    
 O  -0.9278000       2.938000     -0.9185000    
 N   0.1160000       1.064200     -0.2062000    
 C    2.284000      0.5337000      0.1302000    
 C    1.398300       1.574100     -5.9400000E-02
 C    3.745000      0.7371000      0.3576000    
 C    1.784200       3.022300     -6.9600001E-02
 C    4.182000       2.155200     -4.0199999E-02
 C    3.204700       3.213600      0.4901000    
 C    1.549500     -0.6762000      8.0899999E-02
 C   0.2038000     -0.3358000     -0.1650000    
 C    1.929800      -2.034000      0.2029000    
 C  -0.7715000      -1.337400     -0.3649000    
 C   -1.053200       1.837500     -0.3890000    
 C   0.9441000      -2.987500      3.9200000E-02
 C  -0.3526000      -2.650600     -0.2413000    
 C   -2.410300       1.448400      3.1099999E-02
 C  -0.2066000      -4.808900     -0.1550000    
 C   -2.789400      0.6557000       1.089100    
 C   -4.204800      0.5120000       1.166000    
 C   -4.850200       1.201400      0.1630000    
 H    3.960300      0.5753000       1.420900    
 H    4.328500      3.8000001E-03 -0.2104000    
 H    1.751900       3.390200      -1.102100    
 H    1.087700       3.621100      0.5271000    
 H    5.189900       2.348700      0.3438000    
 H    4.234500       2.231600      -1.133900    
 H    3.564100       4.217100      0.2358000    
 H    3.175800       3.153800       1.585900    
 H    2.958600      -2.316600      0.4003000    
 H   -1.794500      -1.114300     -0.6364000    
 H  -0.1804000      -5.454200      -1.040500    
 H  -0.5467000      -5.401200      0.7023000    
 H   -2.099600      0.2098000       1.794300    
 H   -4.723500     -6.3900001E-02   1.921300    
 H   -5.914500       1.265700     -1.4100000E-02


%chk=000039629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039629

0 1
S -3.841046 2.112734 -0.915053
O 1.152840 -4.449798 0.090734
O -1.124928 -3.895064 -0.440867
O -0.895964 2.861836 -1.365346
N 0.076887 1.023657 -0.287930
C 2.279198 0.534476 0.149850
C 1.390335 1.568018 -0.103227
C 3.746161 0.758850 0.427157
C 1.728111 3.034884 -0.098735
C 4.154496 2.209089 0.056264
C 3.115091 3.236607 0.569101
C 1.543539 -0.716955 0.093697
C 0.168349 -0.401753 -0.184971
C 1.973646 -2.070638 0.215615
C -0.812678 -1.402250 -0.411315
C -1.047243 1.822413 -0.655770
C 0.991401 -3.039691 0.027169
C -0.352446 -2.713553 -0.284345
C -2.362717 1.436917 -0.114745
C -0.182615 -5.022410 -0.216094
C -2.699312 0.734546 1.043844
C -4.110085 0.694728 1.304873
C -4.859418 1.371594 0.348750
H 3.963870 0.570760 1.499544
H 4.361766 0.034402 -0.142718
H 1.733535 3.427197 -1.133696
H 0.954755 3.620891 0.433261
H 5.153056 2.434767 0.475551
H 4.235655 2.298065 -1.045373
H 3.466979 4.266158 0.369949
H 3.015358 3.132714 1.668197
H 3.011955 -2.334242 0.429814
H -1.850251 -1.187759 -0.666560
H -0.113718 -5.622124 -1.140649
H -0.529107 -5.611420 0.651074
H -1.950110 0.267518 1.687002
H -4.552768 0.188381 2.165413
H -5.940275 1.493355 0.294732


