%chk=000079398.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079398

0 1
 S   4.3099999E-02   1.600600      0.2449000    
 O   7.3000002E-03   2.549800     -0.8587000    
 O   0.1308000       2.087500       1.615600    
 N    1.638800     -0.2634000       1.059000    
 N   -4.808100      -1.792900     -0.3075000    
 N    4.692200      -1.952100     -0.1427000    
 C   -1.381200      0.6038000      8.2900003E-02
 C    1.473700      0.5760000      3.0300001E-02
 C   -1.930700     -1.5699999E-02   1.205400    
 C   -1.969800      0.4271000      -1.169200    
 C    2.267900      0.6796000      -1.076400    
 C   -3.068700     -0.8119000       1.075800    
 C   -3.107800     -0.3688000      -1.298900    
 C   -3.657200     -0.9884000     -0.1764000    
 C    3.361900     -0.1762000      -1.140200    
 C    3.595500      -1.075500     -0.1058000    
 C    2.712300      -1.079400      0.9618000    
 H   -1.485100      0.1036000       2.189000    
 H   -1.555300      0.8923000      -2.059100    
 H    2.077900       1.381200      -1.879000    
 H   -3.486600      -1.290500       1.957900    
 H   -3.556400     -0.5002000      -2.280400    
 H    4.024600     -0.1338000      -2.000600    
 H    2.841000      -1.758400       1.799500    
 H   -5.206400      -2.242900      0.5059000    
 H   -5.234800      -1.921800      -1.215200    
 H    4.849400      -2.600200      0.6175000    
 H    5.327900      -1.936200     -0.9291000    


%chk=000079398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079398

0 1
S 0.018452 1.674622 0.185181
O 0.086502 2.597170 -1.176313
O 0.011492 2.338531 1.678926
N 1.679884 -0.417997 0.995772
N -4.932112 -1.805638 -0.251253
N 4.849947 -1.959387 -0.129196
C -1.484966 0.566457 0.041326
C 1.532749 0.502862 0.037198
C -1.989646 -0.034630 1.208461
C -2.100623 0.425297 -1.214480
C 2.410419 0.712002 -1.040483
C -3.142969 -0.832708 1.106889
C -3.255456 -0.371482 -1.311562
C -3.790021 -1.015793 -0.153866
C 3.543659 -0.120150 -1.106317
C 3.746301 -1.119542 -0.104678
C 2.765660 -1.227262 0.933215
H -1.495663 0.134720 2.170318
H -1.691434 0.948903 -2.085211
H 2.199230 1.495710 -1.773868
H -3.553014 -1.313611 2.002732
H -3.754610 -0.492025 -2.280280
H 4.267475 -0.001345 -1.920588
H 2.868589 -1.978869 1.725226
H -5.329213 -2.251534 0.570524
H -5.408732 -1.926131 -1.140151
H 4.989910 -2.657678 0.595774
H 5.554393 -1.877294 -0.856995


