%chk=000083894.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083894

0 1
 S   -5.236500      -1.401100     -7.8400001E-02
 S    3.244600       2.600300      0.3980000    
 O   -4.712800       3.182900       1.125200    
 O    2.060600      -1.976000     -0.5529000    
 O    1.842100       3.315600     -2.8999999E-02
 O    1.018200      0.6898000     -0.7721000    
 O    2.064900      -1.623800       1.729500    
 O    4.917200      -1.722300     -0.3370000    
 O    4.322900       3.560900      0.2461000    
 O    3.040000       1.881200       1.642800    
 N   -3.406300       1.244000      0.9731000    
 N   -4.671200       1.837000     -0.7921000    
 N    2.811200     -0.7830000     -0.6405000    
 C   -3.133500      0.2184000     -1.7400000E-02
 C   -3.993500      0.6320000      -1.229800    
 C   -3.526000      -1.173700      0.4884000    
 C   -4.975400     -0.4700000      -1.603400    
 C   -2.633600      -2.264300     -9.6100003E-02
 C   -1.313300      -2.376400      0.6668000    
 C   -4.313400       2.203600      0.5100000    
 C  -0.4035000      -3.442000      4.7499999E-02
 C   0.9396000      -3.554200      0.7688000    
 C    3.322600       1.436900     -0.9253000    
 C    4.615100      0.6149000     -0.8954000    
 C    2.211300      0.4281000     -0.7888000    
 C    1.740100      -2.270300      0.7426000    
 C    4.168700     -0.7886000     -0.5806000    
 H   -2.065300      0.2933000     -0.2463000    
 H   -3.378000      0.9103000      -2.092100    
 H   -3.518000      -1.229900       1.582700    
 H   -4.533700      -1.145200      -2.343000    
 H   -5.921500     -8.9699998E-02  -1.999300    
 H   -3.134500      -3.239600     -3.2400001E-02
 H   -2.432500      -2.079500      -1.159100    
 H   -2.959700       1.287100       1.883800    
 H   -5.296100       2.382600      -1.377200    
 H   -1.511600      -2.631100       1.715100    
 H  -0.8039000      -1.406900      0.6632000    
 H  -0.2361000      -3.207600      -1.010700    
 H  -0.9053000      -4.416500      8.2500003E-02
 H   0.7774000      -3.828500       1.817900    
 H    1.550400      -4.348700      0.3255000    
 H    3.234400       1.983000      -1.869300    
 H    5.335900      0.9530000     -0.1458000    
 H    5.093400      0.6094000      -1.880400    
 H    1.883300       3.883500     -0.8342000    


%chk=000083894-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083894

0 1
S -5.183292 -1.576734 -0.637827
S 2.105034 2.947542 0.045692
O -1.523450 2.846930 0.378648
O 2.291170 -2.157855 -0.181582
O 0.786311 2.198749 0.894900
O 0.830646 0.041338 -1.276149
O 1.783822 -1.538151 2.050708
O 4.989666 -1.241857 0.516621
O 1.598007 3.988783 -1.088182
O 3.255802 3.387617 1.099336
N -1.852239 0.740229 -0.694954
N -3.621911 2.070054 -0.361395
N 2.810834 -0.848028 -0.344007
C -2.988238 -0.075391 -1.158410
C -4.191141 0.955138 -1.149330
C -3.345620 -1.273656 -0.228967
C -5.445991 0.296037 -0.517329
C -2.492435 -2.545135 -0.408700
C -1.215558 -2.512159 0.468778
C -2.257247 1.948712 -0.184168
C -0.249620 -3.678879 0.165287
C 0.983663 -3.710260 1.119219
C 2.922959 1.381434 -0.991853
C 4.269099 0.997502 -0.373877
C 2.024835 0.170830 -0.914778
C 1.693147 -2.377234 1.155844
C 4.150115 -0.479474 0.012951
H -2.810820 -0.462928 -2.176418
H -4.420222 1.287477 -2.179246
H -3.314611 -0.937720 0.825493
H -6.377321 0.547731 -1.046453
H -5.532601 0.567257 0.547916
H -3.088325 -3.436763 -0.132225
H -2.223719 -2.664531 -1.477483
H -0.862756 0.494957 -0.850539
H -4.110541 2.930701 -0.124817
H -1.511440 -2.538265 1.537098
H -0.683238 -1.555265 0.315948
H 0.104416 -3.605478 -0.879589
H -0.775608 -4.647978 0.266928
H 0.673537 -3.938289 2.152984
H 1.692069 -4.488692 0.783086
H 2.936446 1.842058 -1.990754
H 4.475913 1.604608 0.533194
H 5.119255 1.139916 -1.061378
H -0.240101 2.584022 0.640681


