%chk=000148428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148428

0 1
 S  -0.2120000      -1.188900       1.282800    
 O   -2.666000     -0.3889000      0.7290000    
 O   -1.166600     -0.3034000      -1.005600    
 N    1.337300      0.8719000      0.5879000    
 N    2.236600      -1.334600      0.2273000    
 C   -3.685900      0.1130000     -0.1354000    
 C   -3.862900     -0.8636000      -1.297100    
 C   -4.972200      0.2152000      0.6815000    
 C   -3.260100       1.490400     -0.6417000    
 C   -1.429500     -0.5557000      0.1646000    
 C    2.482400       1.380100      8.6999997E-02
 C    3.354200     -0.7586000     -0.2626000    
 C    1.284000     -0.4724000      0.6280000    
 C    3.534900      0.6061000     -0.3578000    
 C    2.587900       2.867100      2.8700000E-02
 C    4.438100      -1.677700     -0.7168000    
 H   -3.879800      -1.900000     -0.9402000    
 H   -4.810300     -0.6726000      -1.815500    
 H   -3.090500     -0.7999000      -2.067700    
 H   -4.833100      0.8775000       1.543800    
 H   -5.254300     -0.7638000       1.085600    
 H   -5.806400      0.5963000      8.3300002E-02
 H   -2.495400       1.472600      -1.422100    
 H   -4.116100       2.018500      -1.078800    
 H   -2.869500       2.105300      0.1776000    
 H    4.443900       1.041500     -0.7545000    
 H    3.427800       3.213400      0.6394000    
 H    2.735600       3.198400      -1.004100    
 H    1.676500       3.341100      0.4078000    
 H    5.352000      -1.502900     -0.1403000    
 H    4.148500      -2.725000     -0.5811000    
 H    4.649600      -1.521300      -1.779300    


%chk=000148428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148428

0 1
S -0.205864 -1.033362 1.118215
O -2.640444 -0.343924 0.533674
O -1.114057 0.410210 -1.098926
N 1.495272 0.948646 0.256528
N 2.374967 -1.319071 0.354673
C -3.911266 0.147911 -0.191735
C -4.023821 -0.569284 -1.549914
C -5.009317 -0.297156 0.786518
C -3.841425 1.680798 -0.322799
C -1.398272 -0.159328 -0.033092
C 2.706387 1.402162 -0.203779
C 3.602619 -0.862654 -0.061765
C 1.398213 -0.384005 0.481511
C 3.793294 0.507169 -0.371549
C 2.804875 2.878277 -0.496439
C 4.699693 -1.891644 -0.176569
H -3.980257 -1.664337 -1.415150
H -4.995561 -0.318222 -2.013238
H -3.219591 -0.259857 -2.236061
H -4.866832 0.176666 1.772521
H -4.990525 -1.392099 0.920369
H -5.999835 -0.005956 0.393575
H -3.035570 1.988279 -1.007702
H -4.803238 2.055995 -0.717977
H -3.669603 2.145090 0.663974
H 4.762509 0.868360 -0.725839
H 3.812666 3.163048 -0.840323
H 2.067601 3.156147 -1.270780
H 2.552845 3.462389 0.406588
H 4.869128 -2.375756 0.801892
H 4.398559 -2.689979 -0.878000
H 5.645548 -1.445413 -0.524702


