%chk=000123731.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123731

0 1
 S   -1.461900     -0.3543000       2.162800    
 O   0.4366000       1.969900       1.639300    
 O   -1.068700       3.030200      -1.000900    
 O   -5.268600      -2.032300     -1.7000001E-02
 O    2.526600     -8.7700002E-02   1.295800    
 O   -3.529700       1.526500      -2.321900    
 O   -4.877400       2.326200     -0.6562000    
 O    8.078100      0.5454000     -0.2351000    
 O    7.979600      -1.163500       1.251500    
 O   -7.568800      -1.941500      1.3500000E-02
 N   -1.848100       1.001100     -8.7300003E-02
 N    1.300800      0.9231000     -0.3940000    
 N    6.909900      -2.875500     -0.5627000    
 N   -6.466700      -3.873300     -0.5700000    
 C   0.1230000       1.258700      0.4252000    
 C  -0.8860000      9.2399999E-02  0.5089000    
 C  -0.9776000       1.985800     -0.3989000    
 C   -3.175200      0.7334000     -0.1916000    
 C   -3.751400     -0.2704000      0.5117000    
 C   -3.002400      -1.111500       1.542900    
 C    2.411300      0.2702000      0.1266000    
 C   -5.199000     -0.6820000      0.3898000    
 C   -3.969600       1.622900      -1.051800    
 C    3.492900      7.1199998E-02 -0.9220000    
 C   0.9194000       3.293300       1.463700    
 C    4.736300     -0.6448000     -0.3925000    
 C    5.802500     -0.8351000      -1.482800    
 C    7.105200      -1.494700      -1.003900    
 C    7.755700     -0.7236000      0.1311000    
 C   -6.526600      -2.560000     -0.1743000    
 H  -0.6575000     -0.7651000     -0.1363000    
 H    1.317600       1.178100      -1.378900    
 H   -2.764000      -2.091300       1.114900    
 H   -3.636300      -1.274600       2.421000    
 H   -5.691600     -0.5595000       1.362500    
 H   -5.741700     -7.1300000E-02 -0.3381000    
 H    3.772300       1.057700      -1.311200    
 H    3.060200     -0.5044000      -1.749200    
 H    1.669000       3.349200      0.6692000    
 H   8.9800000E-02   3.972100       1.249000    
 H    1.386500       3.611800       2.399700    
 H    4.446100      -1.620000      1.6899999E-02
 H    5.149600     -6.5200001E-02  0.4414000    
 H    5.376800      -1.430100      -2.301300    
 H    6.040400      0.1471000      -1.911400    
 H    7.821000      -1.513200      -1.834700    
 H   -4.034100       2.105700      -2.932300    
 H    6.485900      -3.417100      -1.314900    
 H    7.814300      -3.307200     -0.3759000    
 H   -5.578400      -4.342200     -0.7124000    
 H   -7.308800      -4.415300     -0.7322000    
 H    8.498200       1.041700      0.4993000    


%chk=000123731-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123731

0 1
S -1.835946 0.612213 2.221728
O -0.048993 2.860776 1.610152
O -1.190588 3.256915 -1.471525
O -4.588024 -2.583683 -0.051868
O 2.102471 0.211900 1.459008
O -2.255214 0.995404 -3.110503
O -4.505523 0.704569 -2.614347
O 6.922202 -2.303117 0.958031
O 5.650553 -3.807863 -0.269082
O -5.897496 -2.374075 1.908032
N -1.582222 1.040707 -0.498068
N 1.414824 1.845274 -0.055382
N 5.682823 -2.182798 -2.510391
N -5.123874 -4.449460 1.126830
C 0.060242 2.001114 0.458933
C -0.750141 0.682008 0.685213
C -0.970187 2.299663 -0.707266
C -2.805797 0.436296 -0.859638
C -3.458622 -0.400884 0.024548
C -2.932565 -0.714313 1.417634
C 2.371580 0.982985 0.494758
C -4.744742 -1.120747 -0.318826
C -3.308780 0.723453 -2.235826
C 3.757020 1.049889 -0.154234
C 0.387508 4.252852 1.384960
C 4.341053 -0.357012 -0.421052
C 5.821907 -0.296498 -0.839230
C 6.373549 -1.679856 -1.319824
C 6.259210 -2.716706 -0.199532
C -5.269930 -3.083385 1.081254
H -0.189062 -0.255639 0.582476
H 1.666622 2.398056 -0.878298
H -2.365196 -1.662799 1.405545
H -3.783004 -0.849950 2.108682
H -5.572061 -0.747037 0.315459
H -5.021854 -1.034409 -1.376609
H 4.419483 1.589432 0.553367
H 3.734897 1.642610 -1.089931
H 1.467148 4.295216 1.144287
H -0.201492 4.728471 0.579176
H 0.202988 4.763397 2.341340
H 3.767364 -0.859260 -1.222789
H 4.219960 -0.957600 0.500079
H 5.947166 0.404022 -1.688112
H 6.447031 0.069766 -0.002004
H 7.463231 -1.544858 -1.498551
H -2.626245 1.262714 -3.993993
H 6.166990 -2.050369 -3.397357
H 5.247541 -3.101639 -2.392891
H -4.612854 -4.938053 0.395470
H -5.547814 -4.960347 1.896000
H 6.808365 -2.990346 1.669170


