%chk=000035547.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035547

0 1
 S  -0.2788000       3.016200     -0.2532000    
 S    2.750400      -1.277400      0.6315000    
 S   -2.559500      -1.756400      0.4408000    
 S   0.9563000       4.091400       2.220600    
 S    2.081600      -3.491200       2.490000    
 S   -3.681800      -1.354900      -2.272700    
 N    2.338700       3.775100     -0.1441000    
 N    2.263100      -3.814800     -0.2422000    
 N   -4.489700      0.1006000     -7.4600004E-02
 N    1.110300      0.7834000      0.2028000    
 N   -1.278100      0.5697000      0.1155000    
 N   8.5699998E-02  -1.364000      0.5141000    
 C    2.480500       3.360100      -1.542400    
 C    3.578500       4.282300      0.4481000    
 C    2.458300      -3.341500      -1.615400    
 C    1.924400      -5.236900     -0.1523000    
 C   -4.488900      0.4473000       1.349400    
 C   -5.459400      0.8617000     -0.8653000    
 C    2.120300       4.482600      -2.493600    
 C    4.383000       3.170100       1.088700    
 C    3.916100      -3.404500      -2.022100    
 C   0.4266000      -5.455100     -0.2074000    
 C   -5.522100     -0.3523000       2.115800    
 C   -4.851400       2.137500      -1.410600    
 C    1.143400       3.667800      0.5943000    
 C    2.347600      -2.990000      0.8969000    
 C   -3.673100     -0.8959000     -0.6452000    
 C  -0.1331000       1.268600      5.6200001E-02
 C    1.142400     -0.5398000      0.4291000    
 C   -1.091300     -0.7397000      0.3474000    
 H    3.514100       3.040000      -1.720000    
 H    1.861500       2.487600      -1.760400    
 H    4.171400       4.778400     -0.3294000    
 H    3.357100       5.051900       1.193400    
 H    1.856500      -3.954600      -2.296600    
 H    2.084900      -2.321200      -1.731800    
 H    2.415400      -5.775600     -0.9713000    
 H    2.324500      -5.665600      0.7712000    
 H   -3.505600      0.2956000       1.798700    
 H   -4.697400       1.518800       1.452000    
 H   -5.844700      0.2570000      -1.690900    
 H   -6.327000       1.102100     -0.2402000    
 H    1.087400       4.816800      -2.357700    
 H    2.769400       5.351300      -2.341500    
 H    2.235900       4.152700      -3.530800    
 H    3.822500       2.666100       1.881800    
 H    4.663900       2.409600      0.3526000    
 H    5.302500       3.571200       1.526500    
 H    4.547400      -2.789800      -1.373600    
 H    4.295000      -4.430700      -1.972200    
 H    4.038900      -3.049100      -3.050000    
 H  -9.0300001E-02  -4.943400      0.6100000    
 H   5.5999998E-03  -5.080400      -1.146200    
 H   0.1963000      -6.522800     -0.1374000    
 H   -6.533600     -0.1666000       1.740700    
 H   -5.334300      -1.427800       2.038100    
 H   -5.501800     -8.0300003E-02   3.175900    
 H   -4.508300       2.791800     -0.6026000    
 H   -3.990000       1.930600      -2.053300    
 H   -5.590500       2.688600      -2.000500    


%chk=000035547-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000035547

0 1
S -0.339691 3.164945 -0.141575
S 2.852741 -1.196150 0.442144
S -2.459436 -1.820196 -0.484564
S 1.161761 4.120087 2.377188
S 2.336392 -3.310270 2.626180
S -3.854283 -0.567726 -2.935526
N 2.351075 3.900004 -0.084303
N 2.208833 -3.866267 -0.056234
N -4.468078 0.106454 -0.348414
N 1.153833 0.863161 0.088682
N -1.242212 0.634718 -0.240475
N 0.148544 -1.344779 -0.034492
C 2.396043 3.554234 -1.533269
C 3.639386 4.381572 0.499166
C 2.238783 -3.526691 -1.506953
C 1.883626 -5.289789 0.258342
C -4.285381 0.084889 1.131666
C -5.516530 1.046583 -0.846789
C 2.043978 4.755981 -2.432470
C 4.475208 3.219992 1.073363
C 3.638441 -3.721155 -2.123542
C 0.367092 -5.503757 0.438917
C -5.188948 -0.957989 1.818324
C -4.938952 2.446203 -1.139382
C 1.268805 3.755767 0.726348
C 2.388484 -2.985520 0.964268
C -3.723635 -0.592896 -1.245031
C -0.097245 1.370995 -0.091280
C 1.206562 -0.504875 0.137823
C -1.049922 -0.712863 -0.229950
H 3.420949 3.198750 -1.743185
H 1.717693 2.709986 -1.724518
H 4.186681 4.905479 -0.305789
H 3.398660 5.107220 1.294899
H 1.500875 -4.182871 -2.002446
H 1.887874 -2.493744 -1.644174
H 2.274519 -5.905026 -0.572624
H 2.419570 -5.561285 1.183976
H -3.226325 -0.099113 1.362627
H -4.519206 1.102093 1.494046
H -5.947740 0.613451 -1.765585
H -6.304490 1.096433 -0.073158
H 0.999961 5.072612 -2.265965
H 2.705834 5.618202 -2.233875
H 2.155673 4.475788 -3.495642
H 3.927094 2.720857 1.889294
H 4.707138 2.466548 0.299583
H 5.427393 3.609373 1.476615
H 4.363105 -3.022179 -1.671533
H 4.007632 -4.751550 -1.972322
H 3.600021 -3.527697 -3.210915
H -0.002777 -4.910085 1.291088
H -0.194343 -5.204822 -0.464083
H 0.162634 -6.570992 0.639181
H -6.254653 -0.792610 1.577287
H -4.914255 -1.979256 1.502858
H -5.071407 -0.890786 2.914951
H -4.478888 2.891990 -0.239678
H -4.171848 2.383925 -1.928780
H -5.745952 3.116845 -1.485696


