%chk=000090282.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090282

0 1
 S   0.4147000       1.398300       1.266500    
 S  -0.7813000       2.204600     -0.1779000    
 O    2.994400       2.245500      9.9100001E-02
 O  -0.9120000     -8.2199998E-02  -2.045600    
 N    1.527300      0.4586000      0.3592000    
 N   -2.042300       1.055400     -0.3601000    
 C    3.382100      -2.163200      0.2365000    
 C   -3.900500      -1.163500       1.037400    
 C    2.015600      -1.921000      0.8746000    
 C   -3.331300      0.1536000       1.561300    
 C    4.259000     -0.9183000      0.1249000    
 C   -3.069400      -1.820300     -6.2199999E-02
 C    1.151000     -0.9317000      9.7700000E-02
 C   -3.220800       1.234800      0.4896000    
 C    3.682100      0.1515000     -0.7958000    
 C   -2.992900     -0.9949000      -1.342100    
 C    2.704900       1.058400     -7.2899997E-02
 C   -1.880500      3.4600001E-02  -1.290200    
 H    3.247300      -2.605100     -0.7587000    
 H    3.915300      -2.911300      0.8359000    
 H   -4.922900      -1.000400      0.6739000    
 H   -3.980900      -1.863800       1.877900    
 H    1.491700      -2.884200      0.9110000    
 H    2.141300      -1.588000       1.911900    
 H   -4.005900      0.5152000       2.347300    
 H   -2.360200     -2.5100000E-02   2.036500    
 H    5.230600      -1.231200     -0.2771000    
 H    4.447100     -0.5069000       1.124200    
 H   -3.539500      -2.782100     -0.3023000    
 H   -2.066300      -2.047100      0.3162000    
 H    1.226600      -1.122700     -0.9778000    
 H   0.1077000      -1.091400      0.3871000    
 H   -4.112500       1.241700     -0.1475000    
 H   -3.176700       2.217100      0.9757000    
 H    3.215100     -0.2752000      -1.689300    
 H    4.503700      0.7872000      -1.150000    
 H   -3.945600     -0.5139000      -1.585300    
 H   -2.764100      -1.668200      -2.178000    


%chk=000090282-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090282

0 1
S 0.581147 1.273568 1.519865
S -0.823371 2.213565 -0.133504
O 2.947884 2.295386 0.057269
O -0.873555 -0.361952 -1.663405
N 1.769613 0.340428 0.592626
N -2.176295 1.062953 -0.338498
C 3.850026 -2.184829 0.168452
C -4.403091 -1.052316 0.944377
C 2.538732 -2.051915 0.973255
C -3.714674 0.212373 1.508443
C 4.607213 -0.856889 -0.052842
C -3.592326 -1.816964 -0.126407
C 1.490462 -1.104613 0.346990
C -3.418813 1.302559 0.450362
C 3.809498 0.203496 -0.862361
C -3.221501 -0.963509 -1.373354
C 2.823897 1.046046 -0.046070
C -1.994103 -0.070262 -1.154609
H 3.616950 -2.629223 -0.821658
H 4.518851 -2.901371 0.684933
H -5.379468 -0.756880 0.505797
H -4.633098 -1.741183 1.780651
H 2.072247 -3.054300 1.053889
H 2.750735 -1.712887 2.006347
H -4.379080 0.659032 2.274242
H -2.768338 -0.050011 2.020451
H 5.539868 -1.074145 -0.608412
H 4.914871 -0.423857 0.919253
H -4.190869 -2.682563 -0.469637
H -2.665705 -2.232660 0.317141
H 1.376616 -1.278332 -0.739596
H 0.504837 -1.299033 0.798391
H -4.278117 1.406223 -0.242405
H -3.278105 2.278126 0.942634
H 3.274100 -0.294319 -1.695572
H 4.501441 0.937646 -1.307156
H -4.099698 -0.366691 -1.687313
H -2.946880 -1.625897 -2.210969


