%chk=000005344.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005344

0 1
 S   0.3220000       1.132000     -0.3603000    
 O   -2.648900       1.101400      0.3719000    
 O   0.2935000       1.721600      -1.693600    
 O  -1.9000000E-03   1.972300      0.7862000    
 N  -0.7014000     -0.2540000     -0.3665000    
 N   -4.013900      0.9303000      0.5675000    
 N    5.721200      -1.218200      0.4665000    
 C    1.907200      0.4418000     -0.1174000    
 C   -2.095100     -6.8000004E-02 -6.4199999E-02
 C   -3.087600      -1.019000     -0.1599000    
 C   -4.252500     -0.3437000      0.2434000    
 C    2.680700      6.7699999E-02  -1.216300    
 C    2.400200      0.2642000       1.175400    
 C   -2.954300      -2.422000     -0.5874000    
 C    3.947100     -0.4840000      -1.022400    
 C    3.666700     -0.2873000       1.369100    
 C    4.440100     -0.6615000      0.2702000    
 C   -5.623000     -0.8738000      0.3375000    
 H  -0.3186000      -1.206400     -0.3519000    
 H    2.314600      0.1898000      -2.231800    
 H    1.811500      0.5427000       2.044900    
 H   -2.359200      -2.496100      -1.503600    
 H   -2.459700      -3.012600      0.1905000    
 H   -3.927200      -2.880200     -0.7904000    
 H    4.539600     -0.7730000      -1.886700    
 H    4.039300     -0.4218000       2.381400    
 H   -5.650500      -1.760300      0.9795000    
 H   -6.317500     -0.1383000      0.7572000    
 H   -5.993800      -1.156200     -0.6532000    
 H    6.281700      -1.491300     -0.3297000    
 H    6.078300      -1.348600       1.403600    


%chk=000005344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005344

0 1
S 0.458690 -0.207011 -1.799123
O -1.263581 -1.023975 1.146272
O 0.866824 -0.770419 -3.276154
O -0.373533 1.182888 -1.598022
N -0.697734 -1.751593 -1.028658
N -2.434532 -0.596412 1.907296
N 5.355543 -0.094691 1.729318
C 1.957495 -0.173076 -0.716273
C -1.682630 -1.310189 -0.175717
C -3.062755 -1.081719 -0.282105
C -3.475123 -0.668102 1.033151
C 3.068439 -0.955758 -1.083797
C 1.933549 0.626100 0.442952
C -3.919541 -1.217520 -1.507176
C 4.208849 -0.922338 -0.265810
C 3.075953 0.652389 1.257298
C 4.228952 -0.122271 0.919025
C -4.854007 -0.290367 1.494617
H -1.068642 -2.137437 -1.918138
H 3.041693 -1.556619 -1.998254
H 1.045849 1.214603 0.693780
H -3.307160 -1.339758 -2.418489
H -4.601476 -2.086785 -1.439367
H -4.546546 -0.318895 -1.652233
H 5.089372 -1.515665 -0.537262
H 3.080382 1.267805 2.163915
H -5.554665 -1.138821 1.390125
H -4.830283 0.015355 2.553087
H -5.254007 0.549171 0.896937
H 6.177814 -0.646372 1.501005
H 5.375413 0.464982 2.577301


