%chk=000005904.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005904

0 1
 S  -0.8019000       1.230800      0.5170000    
 O   -2.284200      -2.545100      -1.202600    
 O   -5.351700       1.076000     -0.8170000    
 O   -5.115700     -0.6970000      0.5961000    
 O    2.159800      -2.040500       1.216700    
 N   -2.478100     -0.7369000      0.3018000    
 N   0.5677000      -1.380700     -0.3375000    
 C   -1.310000     -0.4177000       1.127900    
 C   -2.567000       1.667900      0.1134000    
 C   -3.167100      0.3360000     -0.3862000    
 C  -0.6142000      -1.632500      0.4990000    
 C   -1.918100      -1.826100     -0.3007000    
 C   -3.219300       2.222400       1.387100    
 C   -2.577100       2.731300     -0.9863000    
 C   -4.629600      0.1576000     -0.1297000    
 C    1.873000      -1.610700      0.1024000    
 C    2.902000      -1.265500     -0.9563000    
 C    3.867900     -0.1949000     -0.5225000    
 C    3.567000       1.137300     -0.7687000    
 C    5.045700     -0.5556000      0.1171000    
 C    4.461900       2.129000     -0.3670000    
 C    5.940500      0.4362000      0.5190000    
 C    5.648600       1.778600      0.2769000    
 H   -1.516700     -0.4852000       2.199900    
 H   -2.996100      0.1926000      -1.461600    
 H  -0.4509000      -2.458500       1.202500    
 H   -3.265500       1.476100       2.188200    
 H   -2.672400       3.092100       1.770900    
 H   -4.244600       2.557200       1.194400    
 H   -2.066600       3.646700     -0.6644000    
 H   -2.084200       2.377900      -1.899500    
 H   -3.600800       3.011900      -1.256100    
 H   0.4359000      -1.011300      -1.276200    
 H   -6.315000      0.9762000     -0.6611000    
 H    3.445300      -2.189100      -1.195000    
 H    2.422900     -0.9646000      -1.896000    
 H    2.644300       1.420600      -1.267500    
 H    5.281800      -1.597900      0.3120000    
 H    4.234300       3.174300     -0.5548000    
 H    6.864200      0.1634000       1.020900    
 H    6.345100       2.550800      0.5901000    


%chk=000005904-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005904

0 1
S -0.880864 1.516556 0.033895
O -2.093984 -2.258486 -1.640714
O -5.769777 0.671756 -0.199974
O -4.900989 -0.454057 1.643163
O 2.125013 -2.682653 0.509478
N -2.387203 -0.685392 0.192516
N 0.821263 -1.125139 -0.629212
C -1.133925 -0.197516 0.824454
C -2.820042 1.753405 0.014131
C -3.405852 0.282195 -0.211995
C -0.366340 -1.393273 0.139299
C -1.713866 -1.620945 -0.646339
C -3.233147 2.359708 1.373031
C -3.185338 2.679744 -1.158808
C -4.725695 0.093891 0.540577
C 2.016733 -1.800871 -0.392325
C 3.194151 -1.369268 -1.276466
C 4.056304 -0.308573 -0.588479
C 4.231583 0.971518 -1.169979
C 4.692692 -0.596022 0.647064
C 5.031871 1.948686 -0.533378
C 5.490119 0.379722 1.283806
C 5.663977 1.655335 0.695949
H -1.124125 -0.128846 1.919873
H -3.614888 0.141064 -1.289164
H -0.129442 -2.209442 0.844395
H -2.985429 1.693871 2.217372
H -2.711131 3.318574 1.526313
H -4.322490 2.556369 1.395064
H -2.767020 3.690107 -1.006359
H -2.805593 2.285902 -2.117488
H -4.285015 2.770240 -1.229318
H 0.778973 -0.398608 -1.347472
H -6.628883 0.555822 0.289923
H 3.790260 -2.280116 -1.462850
H 2.836111 -0.995004 -2.252803
H 3.749546 1.204747 -2.127892
H 4.549544 -1.580854 1.106675
H 5.161627 2.933280 -0.996789
H 5.976915 0.145287 2.237238
H 6.285457 2.410384 1.190188


