%chk=000010180.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010180

0 1
 S   -3.730800       1.383400      0.1334000    
 O  -0.4834000      -1.605100      0.3426000    
 N    5.024900     -0.5506000     -0.1546000    
 N    1.375600      1.2500000E-02 -5.2000001E-02
 C    3.612700     -0.8883000     -2.8999999E-02
 C    2.754900      0.3646000     -0.1501000    
 C   0.3356000      0.9730000     -0.1019000    
 C   -1.026900      0.6453000      1.3300000E-02
 C    5.852500      -1.755900     -7.7699997E-02
 C    5.421700      0.4039000      0.8823000    
 C   -1.987600       1.659100     -2.3200000E-02
 C   -1.566300       2.991300     -0.1756000    
 C   -1.381500     -0.7850000      0.1716000    
 C   0.7385000       2.298800     -0.2544000    
 C   -2.784900      -1.257800      0.1188000    
 C  -0.2132000       3.309300     -0.2916000    
 C   -3.873400     -0.3822000      8.9599997E-02
 C    5.458100      -2.761800      -1.145800    
 C    6.875200      0.8156000      0.7224000    
 C   -2.529500       4.139700     -0.2230000    
 C   -3.007700      -2.646000      9.8800004E-02
 C   -5.173600     -0.9136000      4.0100001E-02
 C   -4.303200      -3.158600      4.7899999E-02
 C   -5.387600      -2.291600      1.8100001E-02
 H    3.404000      -1.400000      0.9207000    
 H    3.290500      -1.558800     -0.8335000    
 H    2.967400      0.8574000      -1.107100    
 H    2.964700       1.052700      0.6723000    
 H    1.121600     -0.9659000     -1.5699999E-02
 H    6.902700      -1.515100     -0.2720000    
 H    5.797300      -2.228600      0.9110000    
 H    4.873200       1.344800      0.7919000    
 H    5.251900      1.1500000E-02   1.892700    
 H    1.773600       2.609300     -0.3502000    
 H   0.1159000       4.338300     -0.4104000    
 H    4.527600      -3.285600     -0.9057000    
 H    5.362800      -2.294000      -2.131700    
 H    6.233900      -3.532000      -1.226200    
 H    7.569600      3.3000000E-02   1.043300    
 H    7.107300       1.096400     -0.3108000    
 H    7.081100       1.689500       1.351100    
 H   -3.218800       4.036300      -1.067600    
 H   -3.093000       4.214900      0.7130000    
 H   -2.015500       5.098800     -0.3561000    
 H   -2.180100      -3.351100      0.1182000    
 H   -6.042400     -0.2581000      1.9400001E-02
 H   -4.463000      -4.232500      3.1300001E-02
 H   -6.399200      -2.684400     -2.0700000E-02


%chk=000010180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000010180

0 1
S -3.800222 1.397059 -0.218206
O -0.478092 -1.666720 0.398249
N 5.057614 -0.716673 0.122265
N 1.365420 0.048918 -0.025669
C 3.599656 -0.980588 0.101408
C 2.800962 0.320754 -0.127498
C 0.385688 0.993606 -0.214249
C -1.031216 0.628743 -0.104451
C 5.864579 -1.822669 -0.460782
C 5.541571 -0.283246 1.462516
C -1.996828 1.672879 -0.315507
C -1.643406 3.011715 -0.617106
C -1.392077 -0.761445 0.209671
C 0.732136 2.344835 -0.519916
C -2.811500 -1.209034 0.326934
C -0.260561 3.311246 -0.711846
C -3.939021 -0.365609 0.161272
C 5.786717 -1.873180 -1.998467
C 6.811693 0.585787 1.390834
C -2.683816 4.095059 -0.833748
C -3.043704 -2.583373 0.626306
C -5.257722 -0.872606 0.288851
C -4.343999 -3.094864 0.754288
C -5.459018 -2.232925 0.584209
H 3.247046 -1.469592 1.043315
H 3.370062 -1.681150 -0.721789
H 3.065918 0.724365 -1.125786
H 3.109336 1.083999 0.618705
H 0.996829 -0.900971 0.198661
H 6.917573 -1.659090 -0.168046
H 5.568193 -2.814060 -0.032963
H 4.736333 0.309268 1.936048
H 5.719301 -1.162245 2.132819
H 1.784461 2.625834 -0.604320
H 0.034126 4.341553 -0.945233
H 4.754209 -2.043695 -2.354086
H 6.140397 -0.919719 -2.427733
H 6.414403 -2.695177 -2.390703
H 7.662311 0.038237 0.946112
H 6.624015 1.480150 0.771634
H 7.116119 0.910239 2.403520
H -3.359053 3.857367 -1.678952
H -3.324570 4.238053 0.058350
H -2.196935 5.059771 -1.054649
H -2.159977 -3.216187 0.750669
H -6.114502 -0.202705 0.156464
H -4.498448 -4.154148 0.984216
H -6.478800 -2.620968 0.681586


