%chk=000134238.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134238

0 1
 S    1.999100       1.844300     -0.3802000    
 O   -1.652800      -2.078100     -0.4122000    
 O    1.142700       2.467100      0.8636000    
 O    3.341800       2.395500     -0.2935000    
 O    1.210700       1.988000      -1.592300    
 N   -3.119300     -0.3916000      -2.322100    
 N  -0.2676000     -0.1855000     -0.4911000    
 C   -3.268900      0.5577000       1.438100    
 C   -3.702600      3.8300000E-02  5.2000001E-02
 C   -2.607800      5.4499999E-02  -1.027300    
 C   -2.721300       1.984200       1.378600    
 C   -2.210400     -0.3767000       2.031200    
 C   -1.468100     -0.8810000     -0.6143000    
 C   0.9981000     -0.7047000     -0.1288000    
 C    2.102800      0.1280000     -4.6300001E-02
 C    1.097600      -2.061100      0.1404000    
 C    3.338600     -0.4090000      0.3146000    
 C    2.333500      -2.597900      0.5012000    
 C    3.453900      -1.771900      0.5882000    
 H   -4.152000      0.5452000       2.089100    
 H   -4.104800     -0.9780000      0.1649000    
 H   -4.542700      0.6573000     -0.2920000    
 H   -2.247700       1.078900      -1.164200    
 H   -2.533000       2.358900       2.390900    
 H   -1.779400       2.051900      0.8272000    
 H   -3.443900       2.656600      0.9047000    
 H   -1.186100     -0.1228000       1.765700    
 H   -2.235500     -0.2568000       3.123100    
 H   -2.427300      -1.433500       1.855200    
 H   -2.395700     -0.2812000      -3.031700    
 H   -3.893100      0.2066000      -2.608800    
 H  -0.2927000      0.8115000     -0.6811000    
 H   0.2875000      -2.772400      9.6699998E-02
 H    4.230400      0.2053000      0.3946000    
 H    2.425000      -3.659000      0.7145000    
 H    4.415900      -2.190200      0.8698000    
 H    1.547100       2.352300       1.755600    


%chk=000134238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134238

0 1
S 2.047583 1.793017 0.130966
O -1.626341 -2.151560 -0.535239
O 1.400723 1.855170 1.869215
O 3.492295 2.506663 0.066470
O 0.842658 2.335681 -0.833266
N -3.229018 -0.391024 -2.327732
N -0.190632 -0.280969 -0.578677
C -3.352688 0.800967 1.385414
C -3.689816 0.089087 0.043804
C -2.600454 0.049553 -1.060372
C -2.907623 2.271104 1.182430
C -2.343834 0.032773 2.276431
C -1.442386 -0.906915 -0.683172
C 1.049218 -0.868544 -0.264703
C 2.191330 -0.065459 0.028837
C 1.258928 -2.279764 -0.239820
C 3.470803 -0.578301 0.302357
C 2.532779 -2.809641 0.038939
C 3.647349 -1.975958 0.297242
H -4.315599 0.825975 1.939242
H -4.000601 -0.955037 0.253202
H -4.553000 0.600395 -0.424438
H -2.209244 1.071884 -1.223186
H -2.849862 2.795709 2.154436
H -1.905768 2.337330 0.715938
H -3.619150 2.822751 0.539662
H -1.314566 0.088002 1.878189
H -2.320356 0.466612 3.293711
H -2.618177 -1.034368 2.365913
H -2.611519 -0.309127 -3.144795
H -3.613419 -1.341780 -2.249696
H -0.171774 0.740941 -0.746036
H 0.400798 -2.925761 -0.434313
H 4.299880 0.106461 0.508613
H 2.658286 -3.897635 0.047176
H 4.632908 -2.403489 0.502014
H 1.232291 2.815957 2.099243


