%chk=000100653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100653

0 1
 S    3.781200     -0.2451000      0.8615000    
 S    4.924200       1.191800     -0.1469000    
 O    6.323300       1.246700      0.6878000    
 O    5.213000      0.6676000      -1.468000    
 O    4.257000       2.469100      1.6000001E-02
 N   3.5100002E-02  -1.278400     -0.2984000    
 C   -2.359700      -1.878400     -0.1639000    
 C  -0.9232000      -2.237800      0.2514000    
 C   -2.771400     -0.4627000      0.2599000    
 C   -4.197500     -0.1429000     -0.1965000    
 C   -4.653700       1.270300      0.1776000    
 C  -0.5643000      -3.647000     -0.2189000    
 C   -6.068900       1.599100     -0.2994000    
 C    1.261400      -1.270700      0.4832000    
 C    2.243500     -0.2652000     -0.1049000    
 C   -6.500000       2.983900      0.1594000    
 H   -3.055300      -2.602800      0.2787000    
 H   -2.461700      -1.971000      -1.253400    
 H  -0.8967000      -2.216300       1.349200    
 H   -2.090400      0.2795000     -0.1720000    
 H   -2.704000     -0.3703000       1.350400    
 H   -4.263100     -0.2606000      -1.285400    
 H   -4.890200     -0.8713000      0.2430000    
 H   -3.952100       1.999400     -0.2466000    
 H   -4.603300       1.381200       1.268100    
 H   0.2324000      -1.489000      -1.275800    
 H  -0.5515000      -3.716500      -1.312600    
 H   -1.302800      -4.369400      0.1469000    
 H   0.4112000      -3.973900      0.1535000    
 H   -6.773900      0.8558000      9.0499997E-02
 H   -6.113200       1.547100      -1.393200    
 H    1.036700     -0.9920000       1.520600    
 H    1.728100      -2.262000      0.4918000    
 H    1.813200      0.7421000     -9.9100001E-02
 H    2.487700     -0.5243000      -1.140900    
 H   -5.830000       3.754000     -0.2357000    
 H   -6.498600       3.053800       1.251800    
 H   -7.513000       3.201200     -0.1934000    
 H    6.993700       1.883900      0.3463000    


%chk=000100653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100653

0 1
S 3.179289 0.914281 -1.473898
S 3.206701 0.662069 1.042899
O 3.759521 -1.149206 1.219983
O 4.320011 1.573073 1.782387
O 1.674096 0.715120 1.580675
N 0.157175 -1.895247 -0.932473
C -1.868270 -1.660107 0.498573
C -0.346828 -1.950265 0.455690
C -2.243398 -0.227237 0.062847
C -3.758835 0.056848 0.162170
C -4.140703 1.489175 -0.275134
C -0.006072 -3.312593 1.120112
C -5.653186 1.782962 -0.149857
C 1.502736 -1.438709 -1.229997
C 1.502343 0.094542 -1.575703
C -6.028110 3.214147 -0.591858
H -2.219293 -1.834358 1.535115
H -2.400490 -2.401634 -0.136873
H 0.179782 -1.149430 1.009689
H -1.899206 -0.059521 -0.977851
H -1.690583 0.498774 0.694627
H -4.314403 -0.676363 -0.460263
H -4.094622 -0.107152 1.207702
H -3.822968 1.650777 -1.326610
H -3.574254 2.222372 0.336086
H -0.336498 -2.460213 -1.627072
H -0.536402 -4.141941 0.614391
H -0.306378 -3.309174 2.184201
H 1.079872 -3.509750 1.071262
H -5.967558 1.624857 0.902121
H -6.219298 1.046813 -0.756882
H 2.160524 -1.615605 -0.356669
H 1.937628 -1.995820 -2.079813
H 0.796305 0.646441 -0.930150
H 1.194350 0.229387 -2.629069
H -5.754648 3.386615 -1.649987
H -5.496566 3.968829 0.018050
H -7.113156 3.399742 -0.488799
H 4.344593 -1.203600 2.032977


