%chk=000003427.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003427

0 1
 S    3.069300     -0.9900000     -0.9934000    
 N    5.610500     -0.1891000     -0.5975000    
 N    4.199500      0.7795000      0.7615000    
 N    6.394900      0.6101000      0.1415000    
 C   -2.598100      -2.925100      0.2445000    
 C   -4.313400      0.5807000      0.9503000    
 C   -3.947800     -0.7471000      0.3218000    
 C   -1.399700      -2.862400     -0.7112000    
 C   -2.993000      -1.578200      0.7839000    
 C   -4.109100       1.791600      3.1300001E-02
 C  -0.1654000      -2.220700     -0.1139000    
 C   -4.769000      -1.137100     -0.8802000    
 C   -2.687900       1.945200     -0.4354000    
 C   0.3839000      -1.073900     -0.5616000    
 C   0.4819000      -2.978400       1.015900    
 C   -1.882100       3.011600     -0.2738000    
 C    1.627700     -0.4061000     -5.9400000E-02
 C   -2.253500       4.267900      0.4609000    
 C  -0.4847000       3.004600     -0.8329000    
 C    4.342700     -5.6800000E-02 -0.2006000    
 C    5.493500       1.173700      0.9484000    
 H   -2.350500      -3.565200       1.101500    
 H   -3.430600      -3.438900     -0.2444000    
 H   -5.365700      0.5419000       1.259400    
 H   -3.733100      0.7310000       1.870200    
 H   -1.699000      -2.321100      -1.618400    
 H   -1.147800      -3.879000      -1.038300    
 H   -2.431100      -1.255800       1.659700    
 H   -4.470900       2.676300      0.5607000    
 H   -4.750000       1.703000     -0.8543000    
 H   -4.554300      -2.124600      -1.289900    
 H   -4.607700     -0.4273000      -1.697900    
 H   -5.833600      -1.123700     -0.6222000    
 H   -2.297500       1.102300      -1.003600    
 H  -0.1077000     -0.5683000      -1.391800    
 H    1.515800      -2.692100       1.219500    
 H  -9.2900001E-02  -2.846400       1.938100    
 H   0.5064000      -4.048700      0.7815000    
 H    1.523700      0.6753000     -0.1987000    
 H    1.772200     -0.5684000       1.013100    
 H   -1.526100       4.462900       1.256600    
 H   -3.236800       4.240500      0.9318000    
 H   -2.242000       5.119700     -0.2273000    
 H   0.2485000       3.076900     -2.3100000E-02
 H  -0.2672000       2.095600      -1.402600    
 H  -0.3429000       3.855500      -1.507500    
 H    6.022500     -0.7654000      -1.322300    
 H    5.788800       1.894900       1.696000    


%chk=000003427-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003427

0 1
S 3.265283 -1.137894 -0.459068
N 5.202369 0.894277 -0.493633
N 3.286279 1.556764 0.438643
N 5.430700 2.237718 -0.148404
C -2.808547 -2.936640 0.001110
C -4.033572 0.694404 1.014130
C -3.989801 -0.644171 0.280615
C -1.460773 -2.991776 -0.800396
C -3.055133 -1.578522 0.623907
C -3.731768 1.939332 0.113098
C -0.226041 -2.691987 0.040950
C -5.028737 -0.825191 -0.813406
C -2.371870 1.883135 -0.551898
C 0.467091 -1.529472 -0.158608
C 0.124599 -3.732015 1.089797
C -1.324784 2.748520 -0.414874
C 1.642680 -1.037518 0.619779
C -1.330991 3.984326 0.469229
C -0.022605 2.523837 -1.168920
C 3.924196 0.505952 -0.140304
C 4.237789 2.572529 0.413425
H -2.784918 -3.713327 0.792715
H -3.625441 -3.219535 -0.687543
H -5.042471 0.837681 1.457648
H -3.306818 0.681853 1.848057
H -1.526811 -2.272544 -1.637761
H -1.366993 -4.007220 -1.239988
H -2.353802 -1.308845 1.428311
H -3.834647 2.847304 0.735143
H -4.519250 2.011046 -0.666336
H -5.023388 -1.837781 -1.248824
H -4.868265 -0.105567 -1.640385
H -6.045373 -0.629267 -0.418903
H -2.225591 1.018399 -1.218248
H 0.125321 -0.852328 -0.953341
H 1.096666 -3.550061 1.576209
H -0.645912 -3.772418 1.884827
H 0.158315 -4.739856 0.632677
H 1.578686 0.038171 0.855548
H 1.862128 -1.611506 1.531180
H -0.489374 3.947162 1.189201
H -2.264472 4.105358 1.042678
H -1.184479 4.899337 -0.139215
H 0.828730 2.368412 -0.475860
H -0.082963 1.646416 -1.837608
H 0.232441 3.406204 -1.790153
H 5.946977 0.359210 -0.935617
H 4.056039 3.568994 0.806318


