%chk=000146836.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146836

0 1
 S    2.620700      0.3631000      -1.702200    
 S    1.928000       4.050800      0.2368000    
 O   0.3432000      -2.954400       1.197300    
 O    1.425800      0.1564000      -2.490100    
 O    3.927000      0.5265000      -2.300900    
 N   -3.469100      0.2244000     -7.4000000E-03
 N    2.427100     -0.2598000       2.067200    
 N    2.651600     -0.5551000     -0.3132000    
 C   -2.437100       1.217100     -0.3379000    
 C   -4.795700      0.8494000      9.0099998E-02
 C   -2.377700       2.323100      0.7169000    
 C   -4.813400       1.943300       1.159000    
 C   -3.736400       2.990200      0.8985000    
 C   -3.481500     -0.8503000     -0.9995000    
 C   -2.159600      -1.567900      -1.065500    
 C   -1.518900      -1.929600      0.1112000    
 C   -1.600900      -1.857600      -2.302300    
 C  -0.2945000      -2.594800      4.9899999E-02
 C    1.389300      -2.159200       3.205100    
 C    2.620300      -1.629900       2.478800    
 C    2.279100       1.534800      0.5188000    
 C    2.466800      0.1330000      0.7803000    
 C  -0.3764000      -2.522800      -2.363600    
 C   0.1329000      -2.130000       2.342700    
 C    2.341800       1.812200     -0.8492000    
 C   0.2769000      -2.891300      -1.187500    
 C    2.055600       2.661200       1.263700    
 C    2.175200       3.117500      -1.196900    
 H   -2.631100       1.664700      -1.322100    
 H   -1.434300      0.7791000     -0.3797000    
 H   -5.542800      9.4300002E-02  0.3633000    
 H   -5.100000       1.274600     -0.8754000    
 H   -2.045200       1.900800       1.673900    
 H   -1.635300       3.074100      0.4243000    
 H   -5.798100       2.423500       1.181200    
 H   -4.654200       1.493500       2.147300    
 H   -3.988900       3.558300     -5.2000000E-03
 H   -3.697000       3.704500       1.728100    
 H   -4.242200      -1.596800     -0.7358000    
 H   -3.752000     -0.4553000      -1.988100    
 H   -2.003100      -1.731700       1.062900    
 H   -2.099500      -1.576200      -3.225400    
 H    1.211600      -1.572100       4.114100    
 H    1.592400      -3.191400       3.515100    
 H    2.870800      -2.279500       1.632100    
 H    3.478200      -1.668600       3.159600    
 H   6.9200002E-02  -2.752900      -3.326900    
 H  -8.9699998E-02  -1.089000       2.077700    
 H  -0.7090000      -2.534900       2.915900    
 H    1.231300      -3.407700      -1.241400    
 H    2.270100      0.4137000       2.812100    
 H    1.958000       2.764400       2.335000    
 H    2.181000       3.577000      -2.174900    


%chk=000146836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146836

0 1
S 2.080014 1.584062 -1.106040
S 3.625989 4.602072 1.860173
O 0.428652 -2.902828 1.011948
O 0.511616 1.858238 -1.404331
O 3.109189 1.455568 -2.346216
N -3.627232 0.089271 -0.403512
N 2.992373 -0.202264 2.355761
N 2.265873 0.108842 0.127911
C -2.720744 1.049140 -1.092821
C -4.939117 0.710715 -0.092079
C -2.481145 2.302384 -0.230112
C -4.767011 1.954537 0.803597
C -3.818263 2.980766 0.141293
C -3.782498 -1.176258 -1.156215
C -2.530157 -2.050415 -1.156875
C -1.644625 -2.020359 -0.052171
C -2.274058 -2.929421 -2.234479
C -0.512375 -2.865001 -0.036556
C 1.494762 -2.137717 3.011001
C 2.808483 -1.670168 2.338374
C 3.026515 2.076504 1.387833
C 2.748803 0.612930 1.282256
C -1.144341 -3.781877 -2.201357
C 0.264442 -1.947936 2.117040
C 2.733523 2.813495 0.193872
C -0.258140 -3.755791 -1.107599
C 3.520425 2.888849 2.395666
C 2.978477 4.158660 0.229029
H -3.158762 1.358497 -2.079293
H -1.757843 0.553564 -1.302114
H -5.571029 -0.041905 0.418137
H -5.475167 1.013768 -1.032043
H -1.947767 1.999665 0.692441
H -1.814392 2.990994 -0.780041
H -5.759338 2.405142 1.001372
H -4.342660 1.634901 1.775831
H -4.295425 3.381042 -0.777830
H -3.648436 3.841663 0.816600
H -4.608724 -1.742276 -0.677686
H -4.097208 -0.998525 -2.217357
H -1.868209 -1.314208 0.753857
H -2.948975 -2.943922 -3.098708
H 1.343546 -1.602570 3.969345
H 1.586038 -3.214820 3.247410
H 2.814415 -1.998595 1.285439
H 3.677041 -2.124025 2.850280
H -0.945727 -4.459804 -3.039138
H 0.204420 -0.916100 1.717802
H -0.668387 -2.172393 2.673892
H 0.630181 -4.393755 -1.070423
H 3.313353 0.229367 3.222901
H 3.840840 2.644695 3.407524
H 2.849085 4.930302 -0.525787


