%chk=000147022.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147022

0 1
 S   -5.883500     -0.5736000      8.2900003E-02
 S    5.882400      0.5803000     -4.6000000E-02
 O   -5.893500      -1.896800     -0.5168000    
 O   -6.008000     -0.4065000       1.520700    
 O    6.000600      0.5315000      -1.493200    
 O    5.893700       1.850100      0.6597000    
 N   -7.061700      0.3887000     -0.6872000    
 N    7.065300     -0.4397000      0.6375000    
 C   -8.401200      0.3093000     -8.8399999E-02
 C   -7.543300       1.521000      0.1155000    
 C    8.402000     -0.3093000      4.1400000E-02
 C    7.544700      -1.501800     -0.2572000    
 C   -4.420500      0.2601000     -0.4449000    
 C    4.422900     -0.2961000      0.4181000    
 C   -3.171700     -0.4057000      0.1124000    
 C    3.170800      0.4110000     -7.7200003E-02
 C   -1.904000      0.3062000     -0.3621000    
 C    1.906300     -0.3393000      0.3433000    
 C  -0.6505000     -0.3415000      0.2301000    
 C   0.6491000      0.3522000     -0.1884000    
 H   -9.181600      0.3491000     -0.8335000    
 H   -8.513600     -0.4070000      0.7105000    
 H   -7.066400       1.689700       1.067000    
 H   -7.736400       2.393700     -0.4918000    
 H    8.509900      0.4701000     -0.6967000    
 H    9.185900     -0.4087000      0.7772000    
 H    7.741700      -2.420900      0.2757000    
 H    7.063800      -1.592800      -1.217300    
 H   -4.408200      0.2438000      -1.539600    
 H   -4.484800       1.297800     -0.1021000    
 H    4.415600     -0.3695000       1.510500    
 H    4.487000      -1.302100     -8.7000001E-03
 H   -3.208100     -0.4021000       1.208700    
 H   -3.138700      -1.457600     -0.1967000    
 H    3.201700      0.4970000      -1.170300    
 H    3.138200       1.434000      0.3169000    
 H   -1.850500      0.2771000      -1.456900    
 H   -1.941900       1.361900     -6.7299999E-02
 H    1.943400      -1.368500     -3.3799998E-02
 H    1.858500     -0.3966000       1.437400    
 H  -0.6105000      -1.393400     -7.9099998E-02
 H  -0.7197000     -0.3361000       1.325000    
 H   0.6971000      0.3910000      -1.283900    
 H   0.6277000       1.390800      0.1642000    


%chk=000147022-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147022

0 1
S -6.050726 -0.129950 0.477177
S 6.051455 0.126747 -0.495010
O -6.227369 -1.684914 0.008613
O -6.102317 0.237898 2.067986
O 6.104545 -0.242192 -2.085514
O 6.227304 1.682064 -0.027356
N -7.351857 0.996026 -0.494042
N 7.351856 -0.998232 0.478108
C -8.648543 0.203099 -0.704719
C -8.577779 1.234272 0.397068
C 8.648432 -0.205225 0.689192
C 8.578433 -1.237262 -0.411845
C -4.438970 0.588464 -0.291643
C 4.439264 -0.591609 0.272959
C -3.222283 -0.122226 0.301182
C 3.222888 0.119868 -0.319539
C -1.907366 0.433542 -0.302627
C 1.907798 -0.436031 0.283787
C -0.661697 -0.270170 0.283939
C 0.662221 0.267925 -0.302665
H -9.140661 0.434068 -1.654243
H -8.627370 -0.860330 -0.434693
H -8.506740 0.891299 1.437081
H -9.018010 2.226719 0.261488
H 8.627594 0.857993 0.418315
H 9.139838 -0.435494 1.639254
H 9.018394 -2.229676 -0.275157
H 8.508185 -0.895109 -1.452180
H -4.583405 0.421544 -1.371037
H -4.504175 1.660905 -0.047764
H 4.583516 -0.425511 1.352509
H 4.504215 -1.663899 0.028347
H -3.212600 0.012256 1.399810
H -3.292622 -1.208671 0.101513
H 3.213253 -0.013829 -1.418264
H 3.293527 1.206142 -0.119086
H -1.917968 0.304906 -1.404167
H -1.839119 1.523674 -0.109931
H 1.839531 -1.526089 0.090675
H 1.918234 -0.307820 1.385384
H -0.733632 -1.360647 0.093205
H -0.655628 -0.143948 1.386062
H 0.656089 0.141859 -1.404803
H 0.734266 1.358364 -0.111771


