%chk=000120972.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120972

0 1
 S    4.507600      -2.179700       1.065100    
 O   -5.618000      -1.947000     -0.7896000    
 O   -7.244200     -8.0600001E-02  0.4731000    
 N   0.4739000       1.007200      0.3851000    
 N    3.262800      0.4831000      5.8899999E-02
 C   0.9624000      0.2952000     -0.8019000    
 C    1.307000      0.6719000       1.546700    
 C    2.410100      0.6798000      -1.117400    
 C    2.765500       1.070300       1.309400    
 C  -0.9259000      0.6725000      0.6444000    
 C   -1.817000       1.103200     -0.5213000    
 C    4.646800      0.3522000     -0.1014000    
 C   -3.266900      0.7838000     -0.2570000    
 C    5.356200     -0.7983000      0.3064000    
 C    5.380400       1.401700     -0.6921000    
 C   -3.775700     -0.4448000     -0.6495000    
 C   -4.067200       1.724400      0.3737000    
 C    6.736800     -0.8932000      0.1303000    
 C    6.761000       1.306600     -0.8679000    
 C    7.439000      0.1593000     -0.4567000    
 C   -5.117000     -0.7401000     -0.4055000    
 C   -5.408300       1.429200      0.6178000    
 C   -5.933200      0.1970000      0.2283000    
 C    4.888300      -3.519500     -9.6199997E-02
 C   -5.542100      -3.011400      0.1567000    
 C   -8.182500      0.2771000     -0.5396000    
 H   0.3988000      0.5506000      -1.702400    
 H   0.8917000     -0.7919000     -0.6619000    
 H    1.251300     -0.4028000       1.766900    
 H   0.9476000       1.206100       2.434500    
 H    2.458400       1.727900      -1.439200    
 H    2.765200      5.9999999E-02  -1.950100    
 H    3.365100      0.7325000       2.163400    
 H    2.855700       2.163000       1.259000    
 H   -1.261000       1.193000       1.551300    
 H   -1.045400     -0.4026000      0.8362000    
 H   -1.557700      0.6056000      -1.461000    
 H   -1.706100       2.179300     -0.7097000    
 H    4.874800       2.309100      -1.015400    
 H   -3.141900      -1.177900      -1.141600    
 H   -3.667000       2.685800      0.6825000    
 H    7.291700      -1.771600      0.4502000    
 H    7.308300       2.126800      -1.323300    
 H    8.514300      8.6700000E-02 -0.5914000    
 H   -6.038000       2.163300       1.113000    
 H    4.591500      -3.239800      -1.110700    
 H    5.954800      -3.757600     -8.1200004E-02
 H    4.331200      -4.413800      0.1956000    
 H   -5.986500      -3.902800     -0.2941000    
 H   -4.498700      -3.228400      0.4066000    
 H   -6.101800      -2.761600       1.063500    
 H   -8.171400       1.358700     -0.7079000    
 H   -7.962500     -0.2509000      -1.472800    
 H   -9.180400     -1.3800000E-02 -0.2002000    


%chk=000120972-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120972

0 1
S 4.618309 -2.162635 0.923846
O -6.012306 -1.490564 -1.239700
O -7.417322 0.000950 0.857306
N 0.476991 0.687657 0.190016
N 3.311106 0.283616 -0.252157
C 1.027228 0.458525 -1.169879
C 1.328140 0.015043 1.207445
C 2.478066 0.965194 -1.264823
C 2.776381 0.517586 1.117945
C -0.945792 0.293963 0.320719
C -1.911313 1.223366 -0.463468
C 4.728823 0.289488 -0.427477
C -3.365624 0.911514 -0.143781
C 5.522307 -0.770842 0.123165
C 5.386962 1.299880 -1.180217
C -4.051809 -0.124584 -0.825154
C -4.050726 1.608463 0.884968
C 6.926059 -0.754995 -0.029400
C 6.787358 1.289838 -1.359861
C 7.562237 0.271092 -0.767144
C -5.384486 -0.455533 -0.503265
C -5.392420 1.301074 1.198793
C -6.075200 0.282861 0.500564
C 6.025545 -3.302812 1.423390
C -6.433719 -2.655221 -0.426645
C -8.401827 0.245123 -0.222893
H 0.414055 1.006230 -1.907744
H 1.008971 -0.628423 -1.438592
H 1.328766 -1.096149 1.077645
H 0.922896 0.245371 2.210548
H 2.473793 2.072571 -1.122316
H 2.879801 0.742597 -2.269147
H 3.400485 -0.014483 1.854272
H 2.800694 1.606771 1.354449
H -1.210530 0.350006 1.394007
H -1.117845 -0.766413 0.000289
H -1.736678 1.113949 -1.550283
H -1.665398 2.266697 -0.193012
H 4.793221 2.111187 -1.614203
H -3.559901 -0.700104 -1.617707
H -3.536510 2.408102 1.431198
H 7.538564 -1.555617 0.396078
H 7.267983 2.082315 -1.944114
H 8.651148 0.258151 -0.884831
H -5.937576 1.848975 1.974381
H 6.590916 -3.636872 0.539280
H 6.691453 -2.815476 2.152822
H 5.536354 -4.169173 1.895404
H -6.939123 -3.335412 -1.129194
H -5.546943 -3.154403 0.008401
H -7.122689 -2.346960 0.380215
H -8.424541 1.321339 -0.479754
H -8.158155 -0.348515 -1.122503
H -9.374381 -0.061509 0.191718


