%chk=000093140.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093140

0 1
 S   -1.778900      -3.253000      0.2405000    
 P    4.534000      0.1606000      0.3282000    
 O   0.7973000      0.2824000       1.239900    
 O    3.125800      5.5100001E-02   1.114000    
 O    4.111900     -0.1185000      -1.207500    
 O    1.952400      -1.920900     -0.8730000    
 O    4.892100       1.737900      0.3712000    
 O    5.610600     -0.7381000      0.8628000    
 N   -1.170000     -0.5992000      0.2594000    
 N   -3.342400      -1.046400      5.2000000E-03
 N   -1.238600       1.828700      0.1972000    
 N   -3.519000       2.646700     -9.7300000E-02
 N   -5.396600       1.175900     -0.2919000    
 C    1.772700      0.5280000     -0.8818000    
 C    1.052200     -0.8184000     -0.8784000    
 C   0.2697000     -0.7932000      0.4381000    
 C    1.997600      0.7622000      0.6109000    
 C    3.025500      0.6202000      -1.745700    
 C   -1.799500      0.6107000      0.1563000    
 C   -2.141400      -1.562900      0.1619000    
 C   -3.143400      0.3114000       0.000000    
 C   -4.016400       1.386900     -0.1293000    
 C   -2.180700       2.787200      6.1700001E-02
 C   -3.415100      -4.043400      5.7599999E-02
 H    1.050700       1.272400      -1.242700    
 H   0.4139000     -0.9309000      -1.761500    
 H   0.4135000      -1.705500       1.025200    
 H    2.117200       1.823800      0.8480000    
 H    2.824000      0.2443000      -2.753900    
 H    3.339900       1.664900      -1.842900    
 H    1.418300      -2.732500     -0.8334000    
 H    5.254900       2.119300       1.198900    
 H   -1.817300       3.809000      8.2699999E-02
 H   -3.860900      -3.770000     -0.9024000    
 H   -4.076700      -3.733600      0.8708000    
 H   -3.293900      -5.129000      9.4599999E-02
 H   -6.010400       1.973700     -0.3846000    
 H   -5.770200      0.2368000     -0.3170000    


%chk=000093140-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093140

0 1
S -1.747418 -3.351216 0.747567
P 4.617090 -0.259285 0.454638
O 0.739565 -0.207834 1.197453
O 3.049224 -0.597151 1.081404
O 4.314462 0.340029 -1.130435
O 1.951917 -1.271909 -1.826598
O 4.983342 1.187222 1.355484
O 5.686845 -1.412364 0.533923
N -1.191991 -0.731940 -0.096096
N -3.431254 -1.169721 0.219457
N -1.359464 1.660123 -0.788797
N -3.686652 2.450445 -0.831763
N -5.523079 1.072667 -0.271894
C 1.859610 0.861087 -0.602906
C 1.043700 -0.292355 -1.240354
C 0.249033 -0.903118 -0.031282
C 1.973695 0.436576 0.879627
C 3.165269 1.269344 -1.309394
C -1.877810 0.464234 -0.388575
C -2.186936 -1.669468 0.277135
C -3.249737 0.166708 -0.192789
C -4.172057 1.225392 -0.429644
C -2.339452 2.597576 -0.988128
C -3.487891 -4.010840 1.034760
H 1.184499 1.739108 -0.617829
H 0.343936 0.106183 -1.997395
H 0.482214 -1.978086 0.067301
H 2.139670 1.245085 1.608168
H 3.024857 1.289634 -2.401242
H 3.482885 2.269217 -0.956462
H 1.455212 -1.869495 -2.440143
H 5.933703 1.273100 1.619970
H -2.002168 3.586880 -1.310771
H -4.065448 -3.938659 0.103244
H -3.969122 -3.424111 1.828631
H -3.351471 -5.059001 1.340589
H -6.132457 1.868612 -0.448769
H -5.903525 0.179931 0.033717


