%chk=000153796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153796

0 1
 S    1.510000      -2.045300     -0.4071000    
 O   -4.780300     -0.1191000      0.5314000    
 O   -3.885300       1.776000     -0.1216000    
 N  -0.1799000      2.6699999E-02 -0.5275000    
 N   -3.792600      0.5545000      0.1501000    
 N    2.456700     -9.8700002E-02   1.157800    
 N    3.434000     -0.3028000      -1.035400    
 C   -1.398600      0.5962000     -0.3927000    
 C   -2.531400     -8.5000001E-02  2.2800000E-02
 C   -2.405400      -1.437700      0.3190000    
 C  -9.6100003E-02  -1.289600     -0.2307000    
 C   -1.167900      -2.059100      0.1925000    
 C   -1.466300       2.051600     -0.7264000    
 C    2.585300     -0.6624000     -5.6299999E-02
 C    3.284700      0.9410000       1.389500    
 C    4.232000      0.7432000     -0.7364000    
 C    4.201100       1.410500      0.4711000    
 H   -3.248000      -2.038600      0.6507000    
 H   -1.065800      -3.114600      0.4230000    
 H   -1.729900       2.662000      0.1431000    
 H  -0.4701000       2.399000      -1.030900    
 H   -2.114600       2.247800      -1.586200    
 H    3.187300       1.402300       2.366500    
 H    4.919900       1.040500      -1.520700    
 H    4.852900       2.247200      0.6837000    


%chk=000153796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153796

0 1
S 1.499659 -1.854265 -0.873019
O -4.841814 -0.426312 0.867048
O -4.239666 1.658876 0.179884
N -0.355446 0.169247 -0.697560
N -3.976460 0.412199 0.394271
N 2.280131 0.217988 0.777238
N 3.849597 -0.543310 -0.927059
C -1.576537 0.731699 -0.437460
C -2.619586 -0.096615 0.089814
C -2.386246 -1.470913 0.347655
C -0.132612 -1.136305 -0.431522
C -1.117266 -2.010388 0.093000
C -1.689999 2.201726 -0.758708
C 2.653785 -0.558288 -0.274742
C 3.196023 1.144117 1.185998
C 4.758116 0.373777 -0.479023
C 4.467130 1.266469 0.577938
H -3.198764 -2.076667 0.756367
H -0.886779 -3.056777 0.307061
H -1.965502 2.790752 0.133287
H -0.718295 2.541018 -1.148336
H -2.482424 2.396874 -1.501989
H 2.895679 1.780224 2.025518
H 5.725287 0.381225 -0.992516
H 5.193690 2.009250 0.916156


