%chk=000039703.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039703

0 1
 S    3.078300       3.429600     -6.4999998E-02
 S    4.312200      0.9435000      -1.286600    
 O   -1.563500      -1.075000     -0.2411000    
 O   -1.448600       1.715400     -0.8695000    
 O   -1.077900       2.172400       1.379100    
 N   0.4441000       2.853200     -0.2346000    
 N    2.755800      0.9075000      0.7698000    
 C   -2.104600      -2.415600     -5.8400001E-02
 C   -3.563200      -2.299900      0.4431000    
 C   -3.831600     -0.8780000      0.1310000    
 C   -2.653100     -0.2450000     -0.2259000    
 C   -2.027500      -3.136600      -1.410000    
 C   -1.223300      -3.133000      0.9654000    
 C   -5.021000     -0.1753000      0.2015000    
 C   -2.609200       1.103300     -0.5249000    
 C   -5.002700       1.187700     -0.1050000    
 C   -3.803500       1.823400     -0.4653000    
 C  -0.7166000       2.252400      0.2086000    
 C    1.402700       3.494300      0.6427000    
 C    3.965400     -0.5906000     -0.5799000    
 C    3.113000     -0.4082000      0.5133000    
 C    3.331300       1.661000     -0.1107000    
 C    4.415300      -1.863700     -0.9651000    
 C    2.697600      -1.541800       1.244900    
 C    3.989200      -2.968800     -0.2241000    
 C    3.141500      -2.812200      0.8670000    
 H   -3.642900      -2.461600       1.523500    
 H   -4.243800      -2.981500     -7.5900003E-02
 H   -2.389200      -4.167200      -1.336000    
 H   -2.620700      -2.615400      -2.170000    
 H  -0.9967000      -3.154800      -1.782200    
 H   -1.579100      -4.149800       1.159800    
 H  -0.1863000      -3.187600      0.6162000    
 H   -1.200400      -2.583200       1.913200    
 H   -5.945400     -0.6629000      0.4912000    
 H   -5.923100       1.763400     -5.9400000E-02
 H   -3.813400       2.885700     -0.6962000    
 H   0.6207000       2.878700      -1.233900    
 H    1.103300       4.542000      0.7401000    
 H    1.375800       3.038500       1.637400    
 H    5.077100      -1.993600      -1.815900    
 H    2.033800      -1.431100       2.097800    
 H    4.325300      -3.963300     -0.5057000    
 H    2.819100      -3.683400       1.430700    


%chk=000039703-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039703

0 1
S 2.252138 2.294254 -1.584310
S 2.907072 -0.777541 -1.689656
O -1.851105 -0.336000 -1.121517
O -2.218087 2.405265 -0.113113
O -0.486630 1.319707 1.105573
N -0.101849 3.200384 -0.263813
N 2.944136 0.688095 0.577571
C -1.890712 -1.875992 -1.163736
C -3.379584 -2.225254 -0.815592
C -3.886491 -0.967823 -0.121791
C -2.946154 0.061484 -0.357294
C -1.454997 -2.270159 -2.576194
C -0.913443 -2.355388 -0.076738
C -5.060794 -0.699506 0.601385
C -3.147552 1.357503 0.152379
C -5.279282 0.613878 1.095755
C -4.325092 1.635216 0.875571
C -0.873625 2.203738 0.320121
C 1.323078 3.227907 -0.134568
C 3.350238 -1.574976 -0.117041
C 3.287177 -0.624901 0.956682
C 2.714459 0.792243 -0.708507
C 3.708941 -2.917613 0.106465
C 3.579223 -1.041361 2.276376
C 3.998032 -3.315660 1.432345
C 3.932001 -2.386211 2.504823
H -3.435086 -3.122437 -0.174277
H -3.961916 -2.429779 -1.735262
H -1.454835 -3.370500 -2.682436
H -2.137654 -1.843831 -3.331404
H -0.434547 -1.900946 -2.778304
H -0.873866 -3.460670 -0.057152
H 0.100345 -1.968658 -0.274335
H -1.227600 -1.994359 0.918081
H -5.799680 -1.487616 0.782998
H -6.187966 0.841171 1.662245
H -4.476764 2.646443 1.265894
H -0.572298 3.805588 -0.938687
H 1.716917 4.252086 -0.188198
H 1.656462 2.704227 0.774543
H 3.763152 -3.639154 -0.714441
H 3.523354 -0.313270 3.090683
H 4.275902 -4.356311 1.631173
H 4.159184 -2.720372 3.522703


