%chk=000077876.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077876

0 1
 S    1.604100      0.8464000      -1.916500    
 S  -0.6945000       3.424300      -1.521200    
 P  -8.2199998E-02   1.666800     -0.8763000    
 O   0.3163000       1.701800      0.7116000    
 N   -1.238900      0.4613000     -0.9544000    
 C   -3.172100     -0.7819000     -0.1029000    
 C   -2.475000      0.5749000     -0.1893000    
 C   -4.461200     -0.6896000      0.7144000    
 C   -5.179500      -2.028200      0.7754000    
 C    1.289200       2.614400       1.193000    
 C    1.886100     -0.5832000     -0.8899000    
 C    1.450400       2.421300       2.685900    
 C    1.251800      -1.790000      -1.184800    
 C    2.741500     -0.4951000      0.2083000    
 C    1.472900      -2.908700     -0.3815000    
 C    2.962600      -1.613800       1.011600    
 C    2.328300      -2.820500      0.7167000    
 H   -3.404400      -1.144400      -1.112300    
 H   -2.499600      -1.517300      0.3569000    
 H   -3.135800       1.310300     -0.6604000    
 H   -2.252000      0.9287000      0.8232000    
 H   -4.233000     -0.3559000       1.733300    
 H   -5.130900      5.6400001E-02  0.2708000    
 H   -1.455400      0.1122000      -1.887700    
 H   -6.097100      -1.939500       1.365400    
 H   -5.452200      -2.373300     -0.2270000    
 H   -4.548100      -2.791100       1.241800    
 H    2.241000       2.462100      0.6796000    
 H   0.9570000       3.638900       1.003300    
 H    1.770000       1.398100       2.909500    
 H   0.4962000       2.576100       3.200400    
 H    2.188300       3.118100       3.092800    
 H   0.5837000      -1.879500      -2.037900    
 H    3.262300      0.4275000      0.4467000    
 H   0.9794000      -3.848600     -0.6113000    
 H    3.631800      -1.546400       1.864400    
 H    2.501400      -3.691800       1.341600    


%chk=000077876-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077876

0 1
S 2.027994 0.714528 -1.820182
S -0.038604 3.719476 -1.931321
P 0.173933 1.874864 -1.001383
O 0.378932 1.985925 0.739454
N -1.037371 0.661594 -1.014447
C -2.754280 -0.683963 0.171404
C -2.298881 0.729687 -0.245181
C -4.073266 -0.659376 0.978042
C -4.549383 -2.073823 1.373753
C 1.036149 3.200332 1.294717
C 1.834648 -0.932605 -1.015414
C 0.932515 3.082222 2.813799
C 1.784688 -2.077091 -1.849229
C 1.797459 -1.067427 0.393611
C 1.714692 -3.363964 -1.266691
C 1.704817 -2.356156 0.964716
C 1.670141 -3.506007 0.139633
H -2.894908 -1.309861 -0.735311
H -1.949481 -1.158196 0.765201
H -3.097117 1.227707 -0.836101
H -2.113283 1.343477 0.653907
H -3.931517 -0.046271 1.890807
H -4.861442 -0.156302 0.381870
H -0.975762 -0.040240 -1.755533
H -5.491029 -2.035667 1.951232
H -4.727481 -2.697129 0.477170
H -3.791682 -2.587996 1.994203
H 2.090106 3.225825 0.956157
H 0.520730 4.099848 0.908498
H 1.440221 2.171481 3.175399
H -0.123306 3.044636 3.132308
H 1.410000 3.959124 3.288976
H 1.808296 -1.959132 -2.937806
H 1.819100 -0.174488 1.025403
H 1.688974 -4.249020 -1.912033
H 1.668257 -2.461735 2.054733
H 1.609539 -4.503478 0.588839


