%chk=000132827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132827

0 1
 S    1.003300      9.7000003E-03   1.473900    
 S   -3.653500      0.3234000      0.3350000    
 O    1.035800      -3.555400      -1.509800    
 O   -1.794300      -4.148700     -0.2012000    
 O    5.005200      -1.234300      0.6797000    
 O   -2.657600      -2.352000      -1.322300    
 N   0.2734000      -2.261200      0.3080000    
 N    3.020000      -1.167300     -0.5162000    
 N    6.258900      0.1463000      -1.358300    
 N   -6.294200       2.618600      0.4115000    
 N   -7.064900       3.098900     -0.5776000    
 N   -7.459000       2.258900      -1.548300    
 C    1.245800      -1.769300       1.266800    
 C    2.324500      -2.201300      0.2494000    
 C    1.149500      -2.863700     -0.5250000    
 C   -1.064500      -2.056300      0.4171000    
 C   -1.571400      -1.131900       1.267300    
 C  -0.7037000     -0.1820000       2.090000    
 C   -3.044700     -0.9023000       1.504700    
 C    4.325600     -0.7637000     -0.2311000    
 C   -1.933900      -2.836800     -0.4758000    
 C    4.820600      0.3431000      -1.155700    
 C    4.500000       1.708400     -0.5836000    
 C   -5.384400      0.3731000      0.8606000    
 C    3.290900       2.329300     -0.8969000    
 C    5.413500       2.344600      0.2570000    
 C   -6.177600       1.339600      4.3400001E-02
 C    2.995300       3.586500     -0.3699000    
 C    5.117800       3.601800      0.7840000    
 C    3.908600       4.222700      0.4705000    
 C   -6.885100       1.121300      -1.147200    
 H    1.257600      -2.347300       2.198500    
 H    3.017700      -2.953000      0.6470000    
 H  -0.6679000     -0.5319000       3.127700    
 H   -1.137600      0.8231000       2.094000    
 H    2.537800     -0.7052000      -1.283700    
 H   -3.606500      -1.834100       1.378700    
 H   -3.219000     -0.5658000       2.532800    
 H    4.341500      0.2402000      -2.137500    
 H    6.420600     -0.7668000      -1.782600    
 H    6.603900      0.8299000      -2.032100    
 H   -2.358700      -4.708400     -0.7761000    
 H   -5.816900     -0.6283000      0.7598000    
 H   -5.431700      0.6538000       1.918600    
 H    2.570200       1.844900      -1.550300    
 H    6.356100       1.881500      0.5348000    
 H    2.053500       4.069500     -0.6133000    
 H    5.826800       4.095800       1.441900    
 H    3.677900       5.201000      0.8820000    
 H   -7.010500      0.2198000      -1.728400    
 H   -7.343400       4.073600     -0.5909000    


%chk=000132827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132827

0 1
S 0.830102 0.025777 1.523372
S -3.799026 0.363519 0.328061
O 1.202051 -2.595500 -2.123999
O -1.044058 -4.281641 -1.043768
O 5.218430 -1.901724 0.495112
O -3.019825 -3.064934 -1.103962
N 0.319429 -2.334110 0.148810
N 3.270819 -0.885767 -0.270443
N 6.677047 0.368581 0.128238
N -6.429567 2.834166 1.359838
N -7.192914 3.576795 0.496680
N -7.529947 2.979451 -0.694319
C 1.261366 -1.778624 1.144148
C 2.423695 -1.990776 0.100992
C 1.286460 -2.386690 -0.906787
C -1.090249 -2.245202 0.191050
C -1.710319 -1.360462 1.054073
C -0.950272 -0.434228 1.993011
C -3.205673 -1.247710 1.195897
C 4.640942 -0.929154 -0.076335
C -1.836508 -3.183394 -0.704731
C 5.453992 0.260168 -0.668217
C 4.661572 1.571933 -0.714738
C -5.467291 0.528687 1.252110
C 3.950554 1.940391 -1.885065
C 4.611659 2.418487 0.420761
C -6.257933 1.653461 0.672575
C 3.186005 3.130376 -1.917078
C 3.850380 3.606557 0.388963
C 3.131669 3.964726 -0.777506
C -6.932681 1.751677 -0.584747
H 1.314504 -2.344761 2.085903
H 3.077478 -2.835369 0.380745
H -0.920027 -0.870616 3.009397
H -1.488146 0.528785 2.051921
H 2.856644 -0.039680 -0.673189
H -3.744844 -2.087234 0.738596
H -3.481963 -1.128507 2.260002
H 5.638199 -0.051126 -1.729757
H 6.980850 -0.530022 0.517625
H 7.419834 0.925392 -0.297405
H -1.532286 -4.846314 -1.701361
H -5.992794 -0.433220 1.133248
H -5.260266 0.716701 2.317660
H 4.006751 1.304823 -2.778974
H 5.192443 2.131974 1.303830
H 2.642518 3.406148 -2.827590
H 3.815335 4.255609 1.271443
H 2.541844 4.887941 -0.799674
H -7.005986 1.027151 -1.390758
H -7.498697 4.519782 0.727242


