%chk=000092647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092647

0 1
 S   -6.257000     -0.5554000      1.6200000E-02
 O   -2.249100       2.581700     -0.2175000    
 O   -1.384800      -2.017800      0.3021000    
 N    2.883400      -1.212000      0.3488000    
 N    2.459800       1.036300      8.7300003E-02
 N   -4.044500       1.085100     -0.1019000    
 N   -3.600400      -1.277900      0.1603000    
 C    1.871700     -0.2390000      0.2142000    
 C    4.114100     -0.5393000      0.2648000    
 C    3.852400      0.8498000      0.1030000    
 C    2.805500      -2.648900      0.4557000    
 C    1.866700       2.334100     -0.1271000    
 C   0.5508000     -0.4893000      0.2004000    
 C    5.408000      -1.020900      0.3102000    
 C    4.884000       1.760900     -1.4000000E-02
 C    2.962300      -3.283700     -0.9127000    
 C    1.656200       2.573600      -1.609800    
 C  -0.4434000      0.5421000      6.0199998E-02
 C   -1.757800      0.2936000      4.6399999E-02
 C    6.452100     -9.9299997E-02  0.1936000    
 C    6.193300       1.274400      3.3599999E-02
 C   -2.681700       1.435200     -0.1035000    
 C   -2.204000      -1.107100      0.1818000    
 C   -4.579700     -0.2392000      2.5400000E-02
 C   -5.014300       2.184300     -0.2447000    
 C   -4.104500      -2.655600      0.2888000    
 C   -5.395400       2.725100       1.120000    
 C   -4.243700      -3.290700      -1.081400    
 H    3.575800      -3.033100       1.135300    
 H    1.853900      -2.964600      0.8966000    
 H    1.041900       2.583400      0.5434000    
 H    2.578500       3.106900      0.1957000    
 H   0.4003000      -1.538900      0.3111000    
 H    5.628600      -2.075200      0.4310000    
 H    4.714400       2.822900     -0.1451000    
 H  -0.2058000       1.556900     -0.1338000    
 H    2.181400      -2.938600      -1.598900    
 H    3.930800      -3.047300      -1.364500    
 H    2.885800      -4.372800     -0.8347000    
 H    2.606800       2.549700      -2.154100    
 H    1.002100       1.825700      -2.067700    
 H    1.207500       3.559100      -1.771000    
 H    7.481400     -0.4475000      0.2255000    
 H    7.026700       1.966600     -5.6600001E-02
 H   -4.543300       2.995100     -0.8141000    
 H   -5.895100       1.904100     -0.8269000    
 H   -3.377900      -3.242000      0.8646000    
 H   -5.034500      -2.719300      0.8581000    
 H   -5.862200       1.966600       1.754800    
 H   -4.515500       3.100800       1.653700    
 H   -6.100700       3.555400       1.012700    
 H   -4.946500      -2.751200      -1.722400    
 H   -3.280300      -3.316600      -1.602400    
 H   -4.598800      -4.321700     -0.9845000    


%chk=000092647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092647

0 1
S -6.352406 -0.646458 0.027898
O -2.354322 2.429089 -0.516059
O -1.555766 -2.234195 0.460548
N 3.027525 -1.109649 0.224470
N 2.713030 1.115038 0.138767
N -4.124048 0.915328 -0.271046
N -3.724753 -1.375944 0.271718
C 2.036869 -0.113943 0.172023
C 4.304375 -0.520547 0.178082
C 4.105945 0.889334 0.122275
C 2.769158 -2.563690 0.237703
C 2.115027 2.466083 0.173453
C 0.656265 -0.417988 0.175422
C 5.596136 -1.079498 0.182727
C 5.192570 1.781547 0.072018
C 2.510468 -3.140404 -1.169287
C 1.824021 3.042669 -1.226925
C -0.422804 0.457380 -0.033934
C -1.800242 0.129278 -0.012928
C 6.690523 -0.183176 0.135398
C 6.492680 1.221406 0.082153
C -2.725949 1.231356 -0.278841
C -2.296440 -1.211784 0.249019
C -4.649209 -0.354491 0.009265
C -5.048386 2.054664 -0.550690
C -4.213882 -2.756719 0.563078
C -5.485620 2.772408 0.739748
C -4.422814 -3.579258 -0.722045
H 3.648269 -3.044672 0.701171
H 1.909799 -2.762847 0.900587
H 1.199066 2.426167 0.785364
H 2.826480 3.117346 0.712767
H 0.384700 -1.466177 0.332217
H 5.758523 -2.160790 0.217748
H 5.049720 2.864865 0.019897
H -0.258250 1.515402 -0.266051
H 1.608894 -2.691643 -1.619205
H 3.367981 -2.956391 -1.840067
H 2.349506 -4.230842 -1.101026
H 2.749359 3.120069 -1.824536
H 1.104602 2.417922 -1.782281
H 1.385677 4.051352 -1.129185
H 7.709745 -0.582750 0.135622
H 7.361823 1.885830 0.042306
H -4.492798 2.746489 -1.203141
H -5.921821 1.645112 -1.082203
H -3.446157 -3.227367 1.197009
H -5.160201 -2.657367 1.118147
H -6.031090 2.080286 1.403856
H -4.611202 3.182573 1.273856
H -6.159838 3.611061 0.486771
H -5.181447 -3.104848 -1.367736
H -3.475853 -3.679459 -1.280118
H -4.778141 -4.592656 -0.459781


