%chk=000032035.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032035

0 1
 S    5.173600      -1.133600      0.3898000    
 O    2.317000      0.5539000     -0.5914000    
 N  -0.3611000      0.7902000       1.111700    
 C   -1.814900      0.6053000       1.075500    
 C   -2.194200     -0.2514000     -0.1462000    
 C   0.1103000       1.384300     -0.1281000    
 C   -2.251800     -3.0500000E-02   2.395300    
 C   -3.681300     -0.4666000     -0.2955000    
 C    1.601900       1.589100     -0.1203000    
 C   -4.273500      -1.561300      0.3140000    
 C   -4.426600      0.4346000      -1.038900    
 C    2.371000       2.627400      0.2744000    
 C    3.615200      0.9436000     -0.4961000    
 C    3.701600       2.211400      3.0500000E-02
 C    4.620400     -2.5500000E-02 -0.9547000    
 C   -5.647200      -1.760000      0.1763000    
 C   -5.800400      0.2358000      -1.176400    
 C   -6.410600     -0.8615000     -0.5688000    
 C    6.349500      -2.116900     -0.5645000    
 C    7.001200      -3.168200      0.3134000    
 H   -2.301200       1.587200       1.001500    
 H   -1.886800      0.2007000      -1.093800    
 H   -1.688900      -1.226300     -0.1040000    
 H  -0.1179000       1.393600       1.897500    
 H  -0.3761000       2.350700     -0.3094000    
 H  -6.4099997E-02  0.7496000      -1.000800    
 H   -1.878600      0.5469000       3.249600    
 H   -1.874300      -1.054300       2.495000    
 H   -3.341800     -5.1600002E-02   2.489700    
 H   -3.688500      -2.270300      0.8925000    
 H   -3.962300       1.294400      -1.513200    
 H    2.041200       3.569900      0.6868000    
 H    4.608900       2.768400      0.2165000    
 H    5.493700      0.5061000      -1.347400    
 H    4.209900     -0.6371000      -1.765300    
 H   -6.122200      -2.615000      0.6485000    
 H   -6.395200      0.9359000      -1.755800    
 H   -7.480300      -1.016300     -0.6759000    
 H    7.119300      -1.459300     -0.9805000    
 H    5.826400      -2.605200      -1.392800    
 H    7.556100      -2.713800       1.141400    
 H    6.261300      -3.861200      0.7286000    
 H    7.711500      -3.757700     -0.2759000    


%chk=000032035-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032035

0 1
S 5.336991 -0.999956 0.477055
O 2.386529 0.693674 -0.624516
N -0.337042 0.661433 0.890507
C -1.801914 0.456302 0.970565
C -2.262972 -0.525651 -0.156908
C 0.124429 1.620183 -0.137999
C -2.161348 -0.083559 2.367504
C -3.773747 -0.618767 -0.295239
C 1.613464 1.776150 -0.152683
C -4.488827 -1.751114 0.173637
C -4.511584 0.445602 -0.879621
C 2.459617 2.822623 0.188719
C 3.742347 1.091655 -0.565404
C 3.814017 2.387761 -0.071827
C 4.753419 0.094078 -0.992554
C -5.896765 -1.821591 0.063249
C -5.918362 0.382126 -0.990872
C -6.617719 -0.753357 -0.518320
C 6.401750 -2.215021 -0.520126
C 7.054596 -3.222820 0.437569
H -2.351174 1.421252 0.817118
H -1.822997 -0.183824 -1.113719
H -1.819922 -1.514538 0.061962
H 0.089171 0.850262 1.806359
H -0.312711 2.642181 -0.006470
H -0.215977 1.259273 -1.128192
H -1.911656 0.652479 3.155255
H -1.599927 -1.014841 2.571037
H -3.239895 -0.303621 2.435947
H -3.935341 -2.585138 0.622872
H -3.976135 1.324592 -1.261503
H 2.148097 3.790859 0.576452
H 4.727602 2.956042 0.090966
H 5.646920 0.596897 -1.396613
H 4.331984 -0.586645 -1.751181
H -6.429007 -2.708060 0.427219
H -6.468656 1.212113 -1.449200
H -7.708711 -0.806526 -0.606978
H 7.165110 -1.633464 -1.067887
H 5.745744 -2.723789 -1.248844
H 7.705015 -2.713144 1.170434
H 6.291156 -3.794808 0.994379
H 7.674630 -3.941905 -0.129347


