%chk=000067002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067002

0 1
 S   -2.458300       1.881700     -0.5608000    
 O    5.030600      -1.183800     -0.1922000    
 O   -2.620800       2.761700      0.5804000    
 O   -2.775500       2.343300      -1.898400    
 O  -0.5232000       1.187300       1.766200    
 N  -0.8724000       1.230100     -0.5498000    
 N   -5.712500      -3.003900      0.3853000    
 C   -3.425200      0.4295000     -0.2794000    
 C    6.116900     -0.2622000     -0.2737000    
 C    1.243900      0.4039000      0.4153000    
 C    3.789400     -0.6621000      6.6000000E-03
 C  -8.3200000E-02  0.9593000      0.6295000    
 C   -3.727300      5.9300002E-02   1.019900    
 C   -3.863200     -0.3115000      -1.363500    
 C    2.251700      0.6252000       1.353900    
 C    1.508900     -0.3506000     -0.7277000    
 C    3.524400      9.2299998E-02   1.149400    
 C    2.781600     -0.8836000     -0.9320000    
 C    7.100200     -0.5466000      0.8514000    
 C    6.771600     -0.3795000      -1.641700    
 C   -4.940300      -1.845300      0.1611000    
 C   -4.490700      -1.086900       1.241800    
 C   -4.626600      -1.457600      -1.141700    
 H    5.767400      0.7740000     -0.1693000    
 H  -0.4319000       1.137200      -1.473300    
 H   -3.383700      0.6341000       1.874200    
 H   -3.623200     -3.1700000E-02  -2.384500    
 H    2.064800       1.211700       2.249800    
 H   0.7446000     -0.5714000      -1.467200    
 H    4.294100      0.2673000       1.895400    
 H    2.981100      -1.476100      -1.820900    
 H    7.951300      0.1406000      0.8189000    
 H    6.614900     -0.4517000       1.828000    
 H    7.477600      -1.573300      0.7883000    
 H    7.612700      0.3131000      -1.742800    
 H    6.045100     -0.1646000      -2.432700    
 H    7.133400      -1.398900      -1.815700    
 H   -4.727800      -1.379100       2.261700    
 H   -4.969600      -2.041400      -1.992000    
 H   -6.038200      -3.554600     -0.3979000    
 H   -5.939700      -3.286000       1.329500    


%chk=000067002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067002

0 1
S -2.761499 1.604430 -1.083589
O 5.392011 -0.171164 -0.966763
O -2.900991 2.926782 -0.165417
O -3.128443 1.648901 -2.670070
O -0.678365 0.843617 1.096245
N -0.968201 1.092270 -1.195821
N -5.769783 -3.005413 1.407456
C -3.635509 0.163390 -0.297903
C 6.409652 -0.158525 0.129579
C 1.268738 0.562933 -0.336002
C 4.049137 0.065255 -0.671429
C -0.181032 0.842905 -0.072530
C -3.683166 0.069467 1.105329
C -4.272303 -0.751920 -1.156146
C 2.155525 0.627227 0.767538
C 1.795862 0.227074 -1.614210
C 3.533433 0.384885 0.614043
C 3.167195 -0.020485 -1.781600
C 6.351302 -1.479419 0.915904
C 7.747881 0.060656 -0.581816
C -5.061816 -1.954046 0.839709
C -4.401832 -0.995791 1.670860
C -4.987665 -1.815190 -0.580960
H 6.194123 0.703986 0.793198
H -0.596281 1.281931 -2.132990
H -3.155659 0.798641 1.725764
H -4.221148 -0.617416 -2.241332
H 1.737318 0.870296 1.749805
H 1.138300 0.119625 -2.484637
H 4.186527 0.449984 1.488583
H 3.583753 -0.285055 -2.757917
H 7.100021 -1.470270 1.729044
H 5.357641 -1.649095 1.364922
H 6.576273 -2.327380 0.245492
H 8.569900 0.096817 0.155460
H 7.738483 1.008036 -1.146764
H 7.945957 -0.763892 -1.288750
H -4.450492 -1.095948 2.760978
H -5.496805 -2.539598 -1.226804
H -6.245439 -3.689980 0.826498
H -5.829704 -3.109322 2.416445


