%chk=000030517.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030517

1 1
 S   -1.199900      -1.724700      7.6499999E-02
 N   -1.213700      0.7806000     -2.3499999E-02
 N    5.266200      4.9999999E-03 -8.8000000E-03
 C   -2.543800      0.4253000     -3.1000001E-03
 C   -3.544000       1.519100     -3.5399999E-02
 C   -4.829000       1.162900      0.7142000    
 C   -5.758300      0.1890000     -2.0600000E-02
 C   -5.114000      -1.010400     -0.7276000    
 C   -4.008100      -1.712900      6.3299999E-02
 C   -2.728200     -0.9390000      3.9400000E-02
 C  -0.3716000     -0.2295000      1.3300000E-02
 C  -0.7322000       2.146400     -6.8899997E-02
 C    1.066600     -0.1703000      7.1999999E-03
 C    1.769300     -9.4899997E-02   1.211500    
 C    1.763900     -0.1869000      -1.202500    
 C    3.857100     -5.2999999E-02 -3.5000001E-03
 C    3.162800     -3.6400001E-02   1.206300    
 C    3.157500     -0.1284000      -1.207800    
 C    6.027800     -0.5479000       1.093300    
 C    5.971700      0.6061000      -1.123200    
 H   -3.155500       2.419000      0.4521000    
 H   -3.771100       1.786700      -1.073800    
 H   -4.582800      0.7516000       1.702200    
 H   -5.395400       2.083700      0.9037000    
 H   -6.494000     -0.1830000      0.7040000    
 H   -6.334500      0.7485000     -0.7688000    
 H   -4.730400     -0.6911000      -1.705600    
 H   -5.909200      -1.736400     -0.9390000    
 H   -3.845900      -2.701800     -0.3838000    
 H   -4.324800      -1.876900       1.100000    
 H   0.3235000       2.224900     -0.3388000    
 H   -1.284100       2.713100     -0.8259000    
 H  -0.8698000       2.609200      0.9135000    
 H    1.243000     -7.6600000E-02   2.163100    
 H    1.233600     -0.2464000      -2.150200    
 H    3.676300      3.4000002E-02   2.161000    
 H    3.667300     -0.1555000      -2.166700    
 H    7.069300     -0.7276000      0.8036000    
 H    5.620900      -1.512300       1.418300    
 H    6.037500      0.1424000       1.943300    
 H    6.034400     -9.1700003E-02  -1.964900    
 H    6.995900      0.8765000     -0.8426000    
 H    5.483600       1.528900      -1.456900    


%chk=000030517-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030517

1 1
S -1.184981 -1.548642 -0.805617
N -1.236584 0.820832 0.264346
N 5.390451 -0.054977 -0.081831
C -2.614684 0.450324 0.157265
C -3.697852 1.368753 0.686986
C -4.980173 0.609829 1.123382
C -5.907419 0.160045 -0.032596
C -5.196798 -0.530587 -1.225229
C -4.061568 -1.507002 -0.813906
C -2.792323 -0.786341 -0.427824
C -0.322807 -0.110566 -0.167344
C -0.850894 2.195851 0.670541
C 1.119082 -0.042984 -0.139603
C 1.854292 0.609819 0.905044
C 1.881221 -0.721375 -1.147607
C 4.011925 -0.055880 -0.097120
C 3.248945 0.603415 0.931127
C 3.274309 -0.725276 -1.138257
C 6.127672 0.649620 0.987099
C 6.151644 -0.774404 -1.124374
H -3.300651 1.912744 1.564753
H -3.958052 2.139412 -0.067448
H -4.678993 -0.262427 1.735002
H -5.557943 1.269749 1.796897
H -6.664835 -0.527040 0.391247
H -6.466359 1.034142 -0.418895
H -4.774730 0.225834 -1.914494
H -5.948032 -1.092874 -1.809709
H -3.839931 -2.183342 -1.660844
H -4.401357 -2.159677 0.015559
H 0.129582 2.438293 0.236333
H -1.594759 2.907509 0.283182
H -0.798610 2.289392 1.768367
H 1.326950 1.073429 1.744472
H 1.360369 -1.224893 -1.970798
H 3.758149 1.087895 1.767260
H 3.802529 -1.237637 -1.945268
H 7.206757 0.589552 0.785577
H 5.938859 0.195440 1.978813
H 5.849521 1.719233 1.028585
H 5.899188 -1.851297 -1.137760
H 7.227505 -0.681838 -0.918150
H 5.959283 -0.352756 -2.129263


