%chk=000060713.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060713

0 1
 S   -3.499200      -2.066200      0.4121000    
 O   -3.446800      -2.121200       1.857100    
 O   -2.678400      -2.928000     -0.4110000    
 O    5.576800      -1.275800     -0.6044000    
 N   0.1623000       2.062600      0.3422000    
 N   -3.271500     -0.4462000     -8.6999997E-02
 C   -2.151800      0.3154000      0.5564000    
 C   -2.309000       1.820400      0.2907000    
 C   0.3719000      0.6468000      0.7393000    
 C  -0.7698000     -0.2025000      0.1304000    
 C   -1.106800       2.583600      0.8676000    
 C   -2.506300       2.123100      -1.204900    
 C   -3.668400       1.313000      -1.767400    
 C   -3.463300     -0.1773000      -1.537900    
 C    1.284800       2.899000      0.7738000    
 C    1.757500      0.1242000      0.3563000    
 C    2.529000       2.506900     -1.9300001E-02
 C    2.788000       1.024700      2.0800000E-02
 C    2.063700      -1.245800      0.4152000    
 C   -5.189200      -2.282700     -8.3400004E-02
 C    4.062900      0.5448000     -0.3167000    
 C    3.338900      -1.713800      9.0499997E-02
 C    4.335900     -0.8198000     -0.2833000    
 C    5.788900      -2.685400     -0.5370000    
 H   -2.244900      0.1791000       1.642700    
 H   -3.211100       2.168100      0.8139000    
 H   0.3159000      0.5719000       1.835700    
 H  -0.6718000     -0.2196000     -0.9623000    
 H  -0.6819000      -1.243700      0.4566000    
 H   -1.214300       3.644100      0.6063000    
 H   -1.122500       2.524300       1.964100    
 H   -1.598300       1.898500      -1.777000    
 H   -2.709400       3.191700      -1.343500    
 H   -4.601500       1.635300      -1.288500    
 H   -3.771600       1.512000      -2.840000    
 H   -4.344900     -0.6873000      -1.928300    
 H   -2.598300     -0.5379000      -2.104300    
 H    1.461200       2.797200       1.853000    
 H    1.080300       3.958400      0.5762000    
 H    3.390700       3.047600      0.3903000    
 H    2.413100       2.808800      -1.068100    
 H    1.318100      -1.972500      0.7247000    
 H    4.848000       1.242600     -0.5993000    
 H   -5.782200      -1.436100      0.2677000    
 H   -5.259600      -2.407500      -1.163600    
 H   -5.554300      -3.195100      0.3959000    
 H    3.483700      -2.787000      0.1554000    
 H    6.828600      -2.870100     -0.8263000    
 H    5.157300      -3.222000      -1.253100    
 H    5.669400      -3.061500      0.4848000    


%chk=000060713-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060713

0 1
S -3.473936 -2.191991 0.104230
O -2.639492 -2.463964 1.483435
O -3.210530 -3.108639 -1.223597
O 5.641746 -1.250460 -0.499902
N 0.125815 2.058820 0.407251
N -3.377160 -0.309394 -0.291421
C -2.203206 0.313082 0.401444
C -2.358966 1.855406 0.220893
C 0.302386 0.611599 0.708839
C -0.801799 -0.178992 -0.042674
C -1.168775 2.551321 0.922947
C -2.477801 2.241453 -1.272777
C -3.597566 1.440850 -1.973095
C -3.413987 -0.083191 -1.766070
C 1.282997 2.883917 0.816851
C 1.711948 0.114051 0.370853
C 2.495508 2.508246 -0.050160
C 2.759152 1.010675 0.011337
C 2.008393 -1.266240 0.461582
C -5.325068 -2.318162 0.523113
C 4.047468 0.508030 -0.269308
C 3.293692 -1.776700 0.181308
C 4.320392 -0.876598 -0.195027
C 5.970561 -2.675145 -0.425865
H -2.315317 0.075108 1.477279
H -3.291401 2.156884 0.740197
H 0.139577 0.438526 1.810495
H -0.637757 -0.048745 -1.126164
H -0.718640 -1.253377 0.194644
H -1.226996 3.641370 0.740283
H -1.257361 2.392720 2.030587
H -1.505761 2.069682 -1.770985
H -2.687304 3.325992 -1.353006
H -4.584041 1.734799 -1.565623
H -3.607570 1.648900 -3.060140
H -4.271321 -0.635001 -2.190254
H -2.501555 -0.441499 -2.283530
H 1.533106 2.750653 1.900291
H 1.021295 3.947669 0.666175
H 3.392221 3.066483 0.279924
H 2.283885 2.809884 -1.094605
H 1.224665 -1.970741 0.762829
H 4.863642 1.185678 -0.542851
H -5.492750 -1.642287 1.370946
H -5.874506 -2.008717 -0.375826
H -5.498910 -3.373021 0.777723
H 3.476948 -2.851991 0.261782
H 7.033740 -2.739778 -0.700764
H 5.364304 -3.267257 -1.139097
H 5.825833 -3.070808 0.598603


