%chk=000075890.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075890

1 1
 S  -0.2980000       1.219200      1.0600000E-02
 O    2.682000       2.412200      -1.100200    
 O    2.687800       2.411500       1.102400    
 N    4.681000     -0.1319000     -7.0000002E-03
 N  -0.4822000      -1.934600      4.4999998E-03
 N   -5.418200      0.7383000     -6.3999998E-03
 N    2.579000       1.864900      1.3000000E-03
 C    1.013900      8.8100001E-02  4.9999999E-03
 C    3.444900     -0.4872000     -8.9999998E-04
 C   0.6869000      -1.374400      5.9000002E-03
 C    2.307500      0.4585000      1.4000000E-03
 C   -1.736800      0.1901000      3.5000001E-03
 C   -1.672700      -1.203400      1.4000000E-03
 C   -4.169900      8.3300002E-02 -3.8000001E-03
 C    3.111500      -1.922000      4.9999999E-03
 C    1.839500      -2.318700      8.1000002E-03
 C   -2.990000      0.8260000      8.9999998E-04
 C   -2.869500      -1.939600     -3.5000001E-03
 C   -4.109900      -1.303500     -5.9000002E-03
 C    5.075400       1.299200     -1.3000000E-02
 C    5.775100      -1.135100     -8.0000004E-03
 C   -6.649400     -2.7100001E-02 -1.1300000E-02
 C   -5.488000       2.186400      9.8000001E-03
 H    3.873000      -2.692200      6.6000000E-03
 H    1.607800      -3.380000      1.1700000E-02
 H   -3.009400       1.913100      2.4000001E-03
 H   -2.837000      -3.027500     -4.9999999E-03
 H   -4.993300      -1.933800     -9.1000004E-03
 H    4.826900       1.778600      0.9314000    
 H    4.818600       1.772300     -0.9585000    
 H    6.172800       1.335200     -1.8100001E-02
 H    5.702100      -1.744300     -0.9137000    
 H    5.710100      -1.737200      0.9031000    
 H    6.746500     -0.6329000     -1.4200000E-02
 H   -6.730000     -0.6523000      0.8849000    
 H   -6.720900     -0.6561000     -0.9055000    
 H   -7.530900      0.6237000     -1.7899999E-02
 H   -5.013600       2.615800     -0.8797000    
 H   -5.019200       2.595600      0.9117000    
 H   -6.524800       2.541400      1.0300000E-02


%chk=000075890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075890

1 1
S -0.301699 1.243549 0.000916
O 2.598989 2.513220 -1.144049
O 2.604663 2.511185 1.142817
N 4.805564 -0.113367 -0.003908
N -0.539723 -1.964173 -0.001111
N -5.465329 0.736315 -0.000529
N 2.545630 1.923653 -0.001023
C 1.022526 0.002994 -0.001107
C 3.477419 -0.474020 -0.002606
C 0.706680 -1.410192 -0.001362
C 2.355554 0.437248 -0.001772
C -1.789712 0.208089 0.000007
C -1.689301 -1.239602 -0.000718
C -4.245330 0.105729 -0.000317
C 3.128859 -1.884504 -0.002448
C 1.819376 -2.321513 -0.001991
C -3.020513 0.861097 0.000313
C -2.930626 -1.975967 -0.000830
C -4.158844 -1.342579 -0.000609
C 5.293093 1.292229 -0.005003
C 5.844772 -1.177607 -0.004566
C -6.723469 -0.047188 -0.002342
C -5.551290 2.214409 0.003523
H 3.923788 -2.630118 -0.002793
H 1.578377 -3.387917 -0.002144
H -3.051794 1.953370 0.000711
H -2.850604 -3.066720 -0.000933
H -5.069115 -1.945143 -0.000077
H 4.961535 1.834204 0.896343
H 4.957432 1.834115 -0.904883
H 6.390587 1.283977 -0.007506
H 5.768879 -1.812809 -0.905223
H 5.770614 -1.812238 0.896640
H 6.836344 -0.706461 -0.005689
H -6.802357 -0.679433 0.900566
H -6.792993 -0.689510 -0.898725
H -7.578259 0.642830 -0.011027
H -5.071979 2.644622 -0.895106
H -5.072172 2.639684 0.904592
H -6.606973 2.518141 0.004170


