%chk=000002349.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002349

0 1
 S   -2.881100       2.165000     -0.2374000    
 O  -0.8143000      -1.564800      -1.346100    
 O   -5.434700      -1.833000     -0.2275000    
 O   -3.653700      -2.295700       1.118000    
 O    2.157500       1.891700     -0.7507000    
 N   -2.209700     -0.3186000      9.2799999E-02
 N   0.8125000      0.5392000      0.5711000    
 C   -1.719600      0.9869000      0.5449000    
 C   -4.266300      0.9234000     -0.1404000    
 C   -3.565400     -0.4261000     -0.4070000    
 C  -0.4198000      0.6897000     -0.2153000    
 C   -1.084600     -0.6448000     -0.6078000    
 C   -4.911200       1.043000       1.247100    
 C   -5.295900       1.241200      -1.226200    
 C   -4.188200      -1.612300      0.2574000    
 C    2.013300       1.164100      0.2284000    
 C    3.124800      0.8430000       1.208500    
 C    4.305200      0.1612000      0.5688000    
 C    4.337400      -1.224500      0.4973000    
 C    5.344200      0.9279000      6.0400002E-02
 C    5.430900      -1.856300     -9.4999999E-02
 C    6.437700      0.2960000     -0.5318000    
 C    6.481000      -1.096100     -0.6095000    
 H   -1.646200       1.050300       1.634800    
 H   -3.497500     -0.6421000      -1.481800    
 H  -0.2612000       1.323100      -1.097800    
 H   -4.214200      0.7852000       2.052300    
 H   -5.275800       2.060500       1.432600    
 H   -5.777100      0.3782000       1.340700    
 H   -5.726600       2.240400      -1.091200    
 H   -4.856100       1.200000      -2.229500    
 H   -6.126400      0.5277000      -1.204900    
 H   0.7954000     -4.7100000E-02   1.402200    
 H   -5.861200      -2.607500      0.1971000    
 H    2.758400      0.2310000       2.041700    
 H    3.438900       1.790200       1.665700    
 H    3.523300      -1.825100      0.8933000    
 H    5.319600       2.012600      0.1143000    
 H    5.464400      -2.940100     -0.1562000    
 H    7.255300      0.8878000     -0.9329000    
 H    7.332300      -1.587900      -1.070900    


%chk=000002349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002349

0 1
S -2.766572 1.972998 0.980477
O -0.502840 0.626856 -2.702259
O -4.640704 -1.770752 -1.687480
O -2.764066 -2.559154 -0.558929
O 1.736824 3.486113 0.577632
N -1.694390 0.140395 -0.638467
N 1.270969 1.260975 0.085101
C -1.268221 0.879591 0.576902
C -3.935707 0.561783 0.314905
C -3.112985 -0.109895 -0.879399
C -0.102867 1.522329 -0.272737
C -0.712664 0.723915 -1.481308
C -4.213148 -0.423273 1.471494
C -5.230332 1.211075 -0.204556
C -3.428668 -1.603733 -0.998712
C 2.128049 2.287812 0.463752
C 3.595308 1.893549 0.738421
C 3.955780 0.427239 0.568728
C 4.057025 -0.432972 1.693233
C 4.183200 -0.116869 -0.724389
C 4.375369 -1.800993 1.532372
C 4.500017 -1.484035 -0.888714
C 4.596381 -2.331111 0.240164
H -0.975508 0.266818 1.441472
H -3.411146 0.367791 -1.831445
H -0.227941 2.613808 -0.385336
H -3.291769 -0.915198 1.828137
H -4.664018 0.119252 2.318700
H -4.923469 -1.210444 1.152480
H -5.790984 1.679884 0.623159
H -5.015624 1.985381 -0.961208
H -5.875325 0.439922 -0.664330
H 1.652021 0.315957 -0.012579
H -4.847997 -2.741599 -1.764202
H 3.814398 2.241007 1.764576
H 4.199904 2.531454 0.066695
H 3.890746 -0.026981 2.698710
H 4.116529 0.535075 -1.604213
H 4.453394 -2.449859 2.411819
H 4.672662 -1.885974 -1.893122
H 4.843669 -3.390839 0.113955


