%chk=000070464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070464

0 1
 S   0.2331000      -1.538500     -0.9880000    
 S  -0.2380000      -1.511000       1.011600    
 O    3.866800       1.357200     -0.9599000    
 O   -3.862100       1.379200      0.9300000    
 N    4.934100     -2.2200000E-02  0.5730000    
 N   -4.936500     -3.4600001E-02 -0.5661000    
 C    2.735100     -0.6407000     -0.1860000    
 C   -2.735000     -0.6372000      0.1985000    
 C    1.544300     -0.2797000      -1.067500    
 C   -1.540500     -0.2567000       1.066600    
 C    3.881500      0.3573000     -0.2470000    
 C   -3.880400      0.3630000      0.2408000    
 C    6.157400      0.7389000      0.6781000    
 C   -6.159600      0.7249000     -0.6841000    
 H    3.137000      -1.618500     -0.4815000    
 H    2.445200     -0.7024000      0.8685000    
 H   -3.137000      -1.607500      0.5180000    
 H   -2.449800     -0.7234000     -0.8557000    
 H    1.130200      0.6959000     -0.7899000    
 H    1.865200     -0.1989000      -2.111800    
 H   -1.859100     -0.1496000       2.109400    
 H   -1.129100      0.7129000      0.7648000    
 H    4.843800     -0.8553000       1.147300    
 H   -4.849200     -0.8809000      -1.121100    
 H    6.989900      3.9900001E-02  0.7863000    
 H    6.092100       1.369900       1.567900    
 H    6.306600       1.363500     -0.2060000    
 H   -6.993200      2.4200000E-02 -0.7725000    
 H   -6.097500       1.334700      -1.588800    
 H   -6.304800       1.370300      0.1856000    


%chk=000070464-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070464

0 1
S 0.297517 -1.895179 -1.068021
S -0.302667 -1.868768 1.127439
O 4.241075 0.629214 -1.569788
O -4.253131 0.661063 1.555219
N 4.753457 0.325938 0.684255
N -4.748274 0.311651 -0.695984
C 2.891189 -0.974345 -0.283754
C -2.895519 -0.970725 0.313904
C 1.641313 -0.560488 -1.073786
C -1.649356 -0.537079 1.099097
C 4.009044 0.066100 -0.455083
C -4.014067 0.073556 0.454674
C 5.893328 1.251504 0.685933
C -5.885216 1.240288 -0.726164
H 3.261214 -1.941472 -0.675146
H 2.630373 -1.126115 0.780807
H -3.267293 -1.927949 0.727289
H -2.629551 -1.148545 -0.745329
H 1.202354 0.374520 -0.689523
H 1.888165 -0.416721 -2.140803
H -1.900184 -0.370086 2.161786
H -1.210638 0.389926 0.695695
H 4.502641 -0.151441 1.551142
H -4.491583 -0.184174 -1.550702
H 6.833265 0.731712 0.948418
H 5.732590 2.084123 1.395232
H 5.983810 1.661284 -0.332799
H -6.824553 0.718032 -0.985848
H -5.716019 2.057833 -1.450886
H -5.982781 1.671043 0.283227


