%chk=000076648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076648

0 1
 S    4.172500       1.943300     -0.1336000    
 S   0.9713000      0.6682000     -0.1217000    
 O    2.889500       2.613400     -0.8851000    
 O    4.225900       2.493900       1.207700    
 O    5.315600       2.013200      -1.022900    
 N   0.7789000      -1.892800      0.1165000    
 N   -5.522400     -0.5817000     -0.2295000    
 C    2.437500     -0.2292000      1.3400000E-02
 C    3.762300      0.2362000      1.3700000E-02
 C    2.132100      -1.588400      0.1329000    
 C    4.792600     -0.6992000      0.1377000    
 C   7.9899997E-02 -0.7884000     -1.2400000E-02
 C   -1.359900     -0.7249000     -6.6799998E-02
 C    3.192300      -2.512400      0.2568000    
 C    4.513600      -2.056200      0.2578000    
 C   -3.422500      0.5340000      0.1616000    
 C   -2.019700      0.4685000      0.2121000    
 C   -4.177500     -0.6099000     -0.1723000    
 C   -2.097200      -1.855500     -0.3963000    
 C    6.227300     -0.2759000      0.1455000    
 C   -3.491700      -1.790100     -0.4462000    
 C   -4.112200       1.722200      0.4376000    
 C   -6.149900      0.5851000      4.4000000E-02
 C   -5.498000       1.754400      0.3795000    
 C   -7.640400      0.5723000     -3.0300001E-02
 H    2.985400      -3.574800      0.3507000    
 H    5.315100      -2.784900      0.3517000    
 H   -1.493800       1.374800      0.5019000    
 H   -1.612700      -2.802300     -0.6224000    
 H    6.580900     -6.6000000E-02 -0.8683000    
 H    6.406000      0.5754000      0.8094000    
 H    6.865200      -1.079100      0.5354000    
 H   -4.046500      -2.689500     -0.7076000    
 H   -3.573700       2.630100      0.6996000    
 H   -6.037800       2.670600      0.5921000    
 H    2.086300       2.736200     -0.3267000    
 H   -8.012100     -0.4198000     -0.3070000    
 H   -8.072300      0.8357000      0.9404000    
 H   -7.990300       1.285700     -0.7833000    


%chk=000076648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076648

0 1
S 4.574350 1.957089 0.126145
S 1.038267 0.920481 0.035151
O 2.973302 2.851483 -0.158972
O 5.086140 2.329811 1.617744
O 5.559826 2.252532 -1.117514
N 0.754034 -1.764383 -0.024247
N -5.676745 -0.709120 -0.017276
C 2.515940 -0.120863 0.020336
C 3.890102 0.182776 0.041306
C 2.130276 -1.512630 -0.013303
C 4.902152 -0.814099 0.041892
C 0.034481 -0.654531 0.002015
C -1.429801 -0.607604 -0.001801
C 3.115408 -2.524015 -0.025934
C 4.472702 -2.171587 0.002949
C -3.567007 0.613747 0.018306
C -2.141283 0.604114 0.022675
C -4.290230 -0.641295 -0.011476
C -2.155109 -1.853226 -0.031713
C 6.387143 -0.500755 0.082045
C -3.545968 -1.865820 -0.036243
C -4.344825 1.819046 0.042033
C -6.378457 0.446593 0.005701
C -5.734700 1.736888 0.035804
C -7.888431 0.347847 -0.001485
H 2.793879 -3.568541 -0.051994
H 5.238065 -2.954014 0.000712
H -1.609025 1.564139 0.044590
H -1.577933 -2.782077 -0.050732
H 6.726978 -0.044482 -0.864710
H 6.637066 0.210014 0.891295
H 6.963350 -1.424032 0.251788
H -4.111963 -2.801708 -0.058887
H -3.838451 2.791174 0.064675
H -6.353212 2.640193 0.053374
H 3.082000 3.761445 0.241492
H -8.191861 -0.709676 -0.022979
H -8.323673 0.826616 0.896006
H -8.317191 0.860675 -0.883167


