%chk=000178122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178122

0 1
 S    3.628600      -2.472700      0.3182000    
 O  -0.1123000      -1.903200       1.197600    
 N    1.528600      0.6325000     -0.2904000    
 N    1.732600     -0.7021000     -0.4908000    
 N   -1.628500      -1.937800     -0.5636000    
 N    2.596000       1.160300      0.3740000    
 N    3.387100      0.2175000      0.6778000    
 C   0.8569000       1.408100      -1.295600    
 C   0.6031000       2.844300     -0.8495000    
 C   0.6841000      -1.525200      -1.051700    
 C  -0.2444000       2.923700      0.4223000    
 C   -3.530800     -0.9945000      0.6968000    
 C   -2.812300      -2.247000      0.2058000    
 C   -4.013200     -0.1053000     -0.4515000    
 C  -0.3700000      -1.791000      1.7000000E-03
 C    2.902300     -0.9744000      0.1566000    
 C  -0.4303000       4.363200      0.8765000    
 C   -4.777400       1.103400      6.5800004E-02
 H    1.466800       1.400900      -2.206200    
 H  -0.1124000      0.9532000      -1.522100    
 H    1.557600       3.360300     -0.6873000    
 H   9.3400002E-02   3.380100      -1.659700    
 H    1.103800      -2.496200      -1.335200    
 H   0.2756000      -1.073400      -1.958800    
 H   0.2204000       2.362600       1.239900    
 H   -1.226600       2.471900      0.2398000    
 H   -2.861200     -0.4162000       1.345700    
 H   -4.388400      -1.298700       1.308900    
 H   -3.471400      -2.841400     -0.4358000    
 H   -2.526600      -2.867000       1.062600    
 H   -3.161600      0.2449000      -1.045800    
 H   -4.662600     -0.6815000      -1.120600    
 H   -1.738500      -1.834200      -1.568000    
 H  -0.9273000       4.957300      0.1031000    
 H   -1.046800       4.398700       1.780200    
 H   0.5332000       4.830500       1.103900    
 H   -4.144900       1.718800      0.7137000    
 H   -5.114000       1.725100     -0.7698000    
 H   -5.659000      0.7958000      0.6371000    


%chk=000178122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178122

0 1
S 0.383717 -2.663872 -1.050995
O -1.972805 1.909936 -0.945152
N 1.693084 1.016241 -0.721905
N 0.808541 0.067152 -1.239896
N -2.150159 -0.395900 -0.508177
N 2.674248 0.363330 -0.019585
N 2.417318 -0.963238 -0.045686
C 1.598370 2.481833 -0.930733
C 2.258261 3.263884 0.223741
C -0.388737 0.369819 -2.021801
C 1.532148 3.116775 1.579948
C -4.581251 -0.939012 -0.150097
C -3.289043 -0.314796 0.426203
C -4.483871 -2.460544 -0.408628
C -1.597863 0.705360 -1.107967
C 1.224393 -1.194092 -0.780502
C 2.169642 4.002830 2.671261
C -5.802212 -3.050906 -0.953862
H 2.082853 2.726611 -1.895881
H 0.522720 2.730859 -0.994660
H 3.315361 2.957402 0.325457
H 2.256056 4.328448 -0.083535
H -0.582299 -0.540490 -2.619717
H -0.206494 1.226198 -2.687931
H 1.563791 2.059189 1.903982
H 0.463342 3.383880 1.456479
H -4.847910 -0.413542 -1.088115
H -5.402632 -0.744426 0.569398
H -3.011722 -0.830216 1.366654
H -3.444619 0.754844 0.649710
H -3.667155 -2.668263 -1.129080
H -4.207723 -2.974490 0.534789
H -1.690886 -1.309416 -0.673995
H 2.125254 5.073371 2.395495
H 1.646971 3.881530 3.636837
H 3.231624 3.736839 2.828107
H -6.083012 -2.573540 -1.911430
H -5.713708 -4.138094 -1.130895
H -6.633993 -2.890196 -0.242235


