%chk=000009278.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009278

1 1
 S   -2.136000      -1.007700       1.686800    
 O    1.124400       1.898400      -1.284400    
 N    2.868400       1.053200      0.8357000    
 N  -0.1581000      0.1044000     -0.4468000    
 C    2.333200      0.1828000     -0.2330000    
 C    4.183300      0.4900000       1.397900    
 C    3.149000       2.467900      0.3046000    
 C    1.871000       1.174400       1.998700    
 C    1.040400      0.7918000     -0.7434000    
 C    3.340600      7.2400004E-02  -1.351300    
 C   -1.405300      0.8225000     -0.2869000    
 C  -0.2359000      -1.330400     -0.3134000    
 C   -2.384600      0.4030000      0.6338000    
 C   -1.099100      -1.953300      0.6022000    
 C   -1.685900       1.969600      -1.052900    
 C   0.5197000      -2.156500      -1.166900    
 C   -3.579000       1.125300      0.7915000    
 C   -1.145200      -3.353100      0.7008000    
 C   -2.879600       2.680500     -0.8976000    
 C   0.4646000      -3.548800      -1.072400    
 C   -3.824500       2.261300      2.8000001E-02
 C  -0.3612000      -4.147500     -0.1309000    
 H    2.186900     -0.7958000      0.2279000    
 H    4.039500     -0.5708000       1.622300    
 H    4.987700      0.6444000      0.6746000    
 H    4.427700       1.036000       2.314900    
 H    3.750900       2.974700       1.069400    
 H    3.735700       2.453600     -0.6123000    
 H    2.225200       3.043700      0.2218000    
 H   0.9680000       1.687300       1.658700    
 H    1.639600      0.1670000       2.356900    
 H    2.340300       1.761900       2.794000    
 H    3.503800      0.9913000      -1.920500    
 H    4.308700     -0.3258000      -1.038100    
 H    2.977900     -0.6374000      -2.103300    
 H   -1.016000       2.319900      -1.831100    
 H    1.133100      -1.728900      -1.952900    
 H   -4.330400      0.8110000       1.513000    
 H   -1.798200      -3.840300       1.421900    
 H   -3.070800       3.556900      -1.510300    
 H    1.059300      -4.161500      -1.743600    
 H   -4.751500       2.812700      0.1515000    
 H  -0.4071000      -5.229500     -5.3500000E-02


%chk=000009278-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009278

1 1
S -1.721912 -0.661669 1.936702
O 0.958346 2.232634 -0.869197
N 2.975827 1.000910 0.942170
N -0.183713 0.219045 -0.498096
C 2.331879 0.300862 -0.325217
C 4.072040 0.087194 1.488547
C 3.578643 2.372037 0.617438
C 1.912589 1.176591 2.032607
C 0.971098 0.989979 -0.609352
C 3.240360 0.379500 -1.561493
C -1.487914 0.870598 -0.427751
C -0.182478 -1.224964 -0.343358
C -2.318812 0.542759 0.671428
C -0.859793 -1.785441 0.769280
C -1.928965 1.786798 -1.406371
C 0.408242 -2.071894 -1.311349
C -3.588903 1.139195 0.808302
C -0.881555 -3.184771 0.954667
C -3.194273 2.395529 -1.260892
C 0.399680 -3.470148 -1.117934
C -4.019807 2.076443 -0.157733
C -0.232646 -4.024125 0.020988
H 2.190329 -0.743582 -0.002448
H 3.618941 -0.851044 1.843912
H 4.806309 -0.124948 0.698952
H 4.572648 0.598925 2.324930
H 3.877967 2.842480 1.567279
H 4.460670 2.239051 -0.024802
H 2.813976 2.971392 0.102679
H 1.212264 1.966195 1.726790
H 1.368471 0.230050 2.175357
H 2.418598 1.466983 2.966187
H 3.285092 1.405406 -1.960165
H 4.261146 0.004217 -1.376999
H 2.806874 -0.258005 -2.351351
H -1.282870 2.034278 -2.251706
H 0.841174 -1.638578 -2.219754
H -4.235172 0.868789 1.648922
H -1.419264 -3.613601 1.805968
H -3.536367 3.114879 -2.011060
H 0.858623 -4.125129 -1.864815
H -5.003498 2.544640 -0.053821
H -0.253345 -5.108864 0.163962


