%chk=000033334.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033334

0 1
 S    1.805300      -1.775000      2.0000001E-03
 O    6.655400      0.1248000     -3.0000000E-03
 O   -1.769700       1.180000      7.9999998E-04
 N    1.136600      0.7160000      3.5000001E-03
 N  -0.6568000     -0.8888000      2.2000000E-03
 N   -2.970400     -0.8244000      1.9999999E-04
 C    3.077700     -0.6113000      1.2000001E-03
 C    2.523300      0.6722000      1.8000000E-03
 C    4.466500     -0.8192000     -1.9999999E-04
 C   0.6582000     -0.5063000      3.1000001E-03
 C    3.391900       1.785500      3.9999999E-04
 C    5.303600      0.2995000     -1.4000000E-03
 C    4.775500       1.585800     -1.1000000E-03
 C   -4.313500     -0.3795000     -1.1000000E-03
 C   -1.800100     -4.6200000E-02  1.2000001E-03
 C   -5.337000      -1.312800     -1.5000000E-03
 C   -4.576700      0.9804000     -7.9999998E-04
 C   -6.661100     -0.8739000     -1.7000000E-03
 C   -5.900700       1.419400     -8.9999998E-04
 C   -6.942800      0.4921000     -1.4000000E-03
 C    7.134700      -1.218200     -3.1999999E-03
 H    4.822600      -1.842400     -6.0000003E-04
 H    2.989800       2.794700      6.0000003E-04
 H    5.437100       2.448400     -2.0999999E-03
 H  -0.8155000      -1.892400      1.8000000E-03
 H   -2.844100      -1.833500      5.0000002E-04
 H   -5.128400      -2.379000     -1.5000000E-03
 H   -3.830800       1.760700     -3.9999999E-04
 H   -7.472600      -1.595700     -2.0999999E-03
 H   -6.121800       2.482900     -5.0000002E-04
 H   -7.973800      0.8340000     -1.6000000E-03
 H    6.839200      -1.752200     -0.9128000    
 H    6.841300      -1.751700      0.9074000    
 H    8.228700      -1.170100     -4.3000001E-03


%chk=000033334-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033334

0 1
S 1.867912 -2.017230 -0.001330
O 6.760734 0.213274 -0.001195
O -1.769325 1.170289 -0.000872
N 1.142413 0.607378 0.001068
N -0.724888 -0.958902 0.000514
N -3.051454 -0.814088 0.000890
C 3.147323 -0.729120 -0.000715
C 2.550267 0.572051 0.000482
C 4.542052 -0.918866 -0.001307
C 0.616790 -0.584497 0.000301
C 3.391941 1.711093 0.001057
C 5.357694 0.240978 -0.000705
C 4.784810 1.543984 0.000463
C -4.382216 -0.302289 0.000119
C -1.854417 -0.079568 0.000432
C -5.437201 -1.255115 0.000665
C -4.686392 1.084878 -0.001116
C -6.780498 -0.830127 -0.000006
C -6.038019 1.492593 -0.001786
C -7.091093 0.549727 -0.001244
C 7.413551 -1.097458 -0.002360
H 4.973454 -1.922347 -0.002212
H 2.938243 2.705833 0.001964
H 5.459873 2.404288 0.000883
H -0.894090 -1.966123 0.000462
H -2.993370 -1.834884 0.001959
H -5.206479 -2.329099 0.001615
H -3.875763 1.815068 -0.001507
H -7.582541 -1.576366 0.000430
H -6.265781 2.564378 -0.002736
H -8.134418 0.882075 -0.001771
H 7.150006 -1.677596 -0.908316
H 7.150595 -1.678909 0.902926
H 8.491886 -0.881504 -0.002554


