%chk=000073992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073992

0 1
 S    4.108800       4.562000     -0.3332000    
 S    6.063500      -2.779500     -0.4726000    
 O   -2.386000      -3.598000      7.8400001E-02
 O   -3.545900       2.297300      0.2813000    
 O   -4.808500      -2.858000     -0.3334000    
 O    5.214100       3.794000      0.5950000    
 O    6.665300      -1.613700      0.5030000    
 O    4.476300       4.317700      -1.720400    
 O    3.964000       5.920100      0.1675000    
 O    6.628100      -4.043300     -2.1900000E-02
 O    6.227100      -2.343700      -1.850800    
 N   -1.030500       1.765100      0.7258000    
 N   0.2214000      -2.880300      0.6302000    
 C   -2.765000      5.9799999E-02  0.2703000    
 C   -3.097500      -1.286900      0.1094000    
 C   -1.442500      0.4239000      0.5503000    
 C   -5.191200      0.7088000     -0.1480000    
 C   -2.107300      -2.269500      0.2278000    
 C   -5.523800     -0.6380000     -0.3086000    
 C   -3.799700       1.106900      0.1471000    
 C  -0.7905000      -1.902300      0.5067000    
 C   -4.489100      -1.685100     -0.1857000    
 C  -0.4588000     -0.5585000      0.6677000    
 C   -6.181300       1.691400     -0.2672000    
 C   -6.846400      -1.002200     -0.5884000    
 C   0.1850000       2.426300      0.4765000    
 C    1.603600      -2.857600      0.3692000    
 C   -7.498000       1.324200     -0.5462000    
 C   -7.829900     -1.9700000E-02 -0.7066000    
 C   0.5618000       3.522000       1.256900    
 C    1.021200       1.990900     -0.5546000    
 C    2.470900      -3.664500       1.109000    
 C    2.113900      -2.026200     -0.6305000    
 C    2.599300       3.741300     -2.2399999E-02
 C    1.767000       4.178600       1.007900    
 C    2.226500       2.647400     -0.8035000    
 C    4.348300      -2.808800     -0.1481000    
 C    3.841500      -3.640100      0.8507000    
 C    3.484400      -2.002100     -0.8889000    
 H   0.5571000     -0.2865000      0.9420000    
 H   -1.736200       2.355800       1.155200    
 H  -0.1193000      -3.775800      0.9687000    
 H   -5.950900       2.746600     -0.1471000    
 H   -7.132700      -2.042400     -0.7181000    
 H   -8.265700       2.087100     -0.6385000    
 H   -8.855800     -0.3027000     -0.9238000    
 H   -3.325300      -3.738800     -0.1099000    
 H  -7.6899998E-02   3.871300       2.064400    
 H   0.7460000       1.159000      -1.196900    
 H    2.088500      -4.314700       1.891900    
 H    1.463200      -1.404300      -1.238900    
 H    2.039800       5.022800       1.634600    
 H    2.859900       2.288100      -1.609800    
 H    4.496100      -4.271500       1.444800    
 H    3.855800      -1.344500      -1.669800    
 H    5.348900       2.839000      0.3891000    
 H    6.549900      -1.770400       1.469800    


%chk=000073992-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073992

0 1
S 4.017139 5.082580 -0.484861
S 6.229383 -3.520253 0.119117
O -2.325951 -3.511049 -0.103855
O -3.646965 2.450550 0.305356
O -4.709706 -2.971892 -0.168373
O 4.976075 4.248278 0.875335
O 6.503401 -2.954271 1.870158
O 4.705423 4.704276 -1.900486
O 3.773960 6.627241 -0.068959
O 6.585286 -5.096405 0.028973
O 6.927153 -2.455115 -0.879461
N -1.112710 1.945875 0.264988
N 0.207679 -2.851276 0.117566
C -2.786964 0.200543 0.090452
C -3.095798 -1.201841 -0.002023
C -1.401740 0.589680 0.156506
C -5.270887 0.685567 0.047273
C -2.064684 -2.170310 -0.026760
C -5.568452 -0.708856 -0.066265
C -3.868547 1.176384 0.150158
C -0.673452 -1.773567 0.076138
C -4.472978 -1.685259 -0.081745
C -0.371703 -0.406041 0.181314
C -6.335169 1.620382 0.069366
C -6.916182 -1.144840 -0.156338
C 0.115119 2.614017 0.091810
C 1.611256 -2.927825 0.116403
C -7.670099 1.180219 -0.023713
C -7.962684 -0.204923 -0.136590
C 0.297353 3.845938 0.786994
C 1.127431 2.162936 -0.806624
C 2.183882 -4.174559 0.514203
C 2.471451 -1.871289 -0.302307
C 2.457447 4.097829 -0.249786
C 1.474783 4.595883 0.623208
C 2.311264 2.903906 -0.975562
C 4.385795 -3.283150 0.124564
C 3.574595 -4.360124 0.523967
C 3.868166 -2.046933 -0.290696
H 0.649753 -0.083190 0.376093
H -1.992097 2.516149 0.401941
H -0.294914 -3.749244 0.155102
H -6.085919 2.681708 0.160060
H -7.110912 -2.218211 -0.240122
H -8.486964 1.909463 -0.008722
H -9.002517 -0.540174 -0.207339
H -3.408020 -3.584229 -0.151270
H -0.486207 4.198505 1.465429
H 0.961760 1.270762 -1.416657
H 1.528058 -4.994011 0.829351
H 2.069885 -0.929999 -0.678488
H 1.625800 5.542405 1.151098
H 3.086072 2.586408 -1.680697
H 4.020373 -5.313489 0.822983
H 4.538802 -1.248064 -0.622533
H 5.892036 4.653311 0.892305
H 7.488144 -2.992609 2.049421


