%chk=000135512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135512

0 1
 S   0.1722000      -2.152000      0.4124000    
 O    1.200800       2.399800     -0.4196000    
 N   0.8614000      0.3956000      4.0700000E-02
 N    1.192000       1.576800      0.5011000    
 C   2.7899999E-02 -0.4077000      0.9474000    
 C   -1.437700      1.5200000E-02  0.8947000    
 C    1.986400     -0.4355000     -0.4070000    
 C    1.403500      -1.770800     -0.8515000    
 C   -1.977200     -3.4100000E-02 -0.5310000    
 C   -3.429300      0.4127000     -0.5872000    
 H   0.3963000     -0.3653000       1.980700    
 H   -1.542800       1.034300       1.288900    
 H   -2.042000     -0.6279000       1.547700    
 H    2.714900     -0.5903000      0.4023000    
 H    2.521100      2.8000001E-02  -1.245300    
 H   0.9064000      -1.685700      -1.823000    
 H    2.166100      -2.552100     -0.9066000    
 H   -1.932900      -1.042900     -0.9525000    
 H   -1.401200      0.6200000      -1.195100    
 H   -4.063600     -0.2359000      2.5599999E-02
 H   -3.538200       1.440700     -0.2268000    
 H   -3.799300      0.3741000      -1.616700    


%chk=000135512-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135512

0 1
S 0.370540 -2.247247 0.714922
O 1.922340 2.322111 -0.126301
N 0.997487 0.345475 0.368732
N 1.019408 1.708079 0.561496
C 0.003661 -0.425556 1.165230
C -1.448848 0.015905 0.906534
C 1.920720 -0.370627 -0.546080
C 1.255611 -1.712993 -0.879114
C -1.934678 -0.119380 -0.551933
C -3.394236 0.353850 -0.717580
H 0.244964 -0.336005 2.238888
H -1.525940 1.074737 1.227357
H -2.105640 -0.575534 1.574072
H 2.898084 -0.513301 -0.046398
H 2.089209 0.262165 -1.435938
H 0.517827 -1.621114 -1.690906
H 1.994500 -2.489877 -1.124512
H -1.847894 -1.178610 -0.864691
H -1.277928 0.476061 -1.216746
H -4.080139 -0.241876 -0.086265
H -3.504207 1.415154 -0.425792
H -3.730044 0.255582 -1.765775


