%chk=000178608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178608

0 1
 S   0.1726000      -2.085500      -1.982700    
 P   2.7799999E-02  -1.017300     -0.3429000    
 O  -0.1497000      -1.939400      0.9974000    
 O   -3.675000       1.399900      0.3613000    
 O    3.948700       1.128300     -7.6300003E-02
 N   -1.218500      7.7799998E-02 -0.2782000    
 N    1.369800     -0.1092000      1.8600000E-02
 C   -1.429300      0.7590000       1.006200    
 C   -2.508900     -0.3615000     -0.8261000    
 C    1.666900       1.012800     -0.8821000    
 C    2.603900     -0.8490000      0.3156000    
 C   -2.435700       1.894700      0.8660000    
 C   -3.489800      0.8007000     -0.9201000    
 C    2.769900       1.896400     -0.3122000    
 C    3.684800      7.9700001E-02  0.8546000    
 C   -1.337500      -2.687400       1.200700    
 H  -0.4912000       1.179900       1.381700    
 H   -1.794200      5.5399999E-02   1.760000    
 H   -2.951200      -1.139300     -0.1978000    
 H   -2.393400     -0.7696000      -1.833500    
 H   0.7790000       1.632800      -1.041500    
 H    1.978700      0.6262000      -1.859900    
 H    2.968400      -1.341000     -0.5940000    
 H    2.411700      -1.628400       1.060300    
 H   -2.630300       2.344500       1.845000    
 H   -2.060500       2.687000      0.2066000    
 H   -3.148400       1.560200      -1.634100    
 H   -4.465000      0.4401000      -1.263100    
 H    3.023900       2.684600      -1.028200    
 H    2.456000       2.383300      0.6192000    
 H    3.400400      0.5111000       1.822000    
 H    4.615800     -0.4770000       1.001800    
 H   -2.078000      -2.096500       1.741400    
 H   -1.086500      -3.555400       1.816900    
 H   -1.751500      -3.053000      0.2586000    


%chk=000178608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178608

0 1
S -0.417497 -2.326994 -2.035691
P -0.182125 -1.195255 -0.298926
O 0.007494 -2.135860 1.181047
O -3.357934 2.091617 0.140399
O 3.682882 1.323377 -0.012122
N -1.466370 -0.047707 -0.066372
N 1.237636 -0.193761 -0.039476
C -1.551315 0.741839 1.187224
C -2.738670 -0.119746 -0.817298
C 1.466465 0.880910 -1.046461
C 2.512506 -0.839133 0.383527
C -2.071200 2.152380 0.850989
C -3.219180 1.313971 -1.104830
C 2.411237 1.929292 -0.432830
C 3.430969 0.250147 0.964514
C -0.741304 -3.402879 1.282629
H -0.549461 0.797286 1.647511
H -2.246378 0.251202 1.900849
H -3.510458 -0.654786 -0.223841
H -2.569715 -0.675578 -1.757625
H 0.499008 1.347570 -1.305912
H 1.917716 0.463404 -1.972630
H 3.012860 -1.327438 -0.481112
H 2.291332 -1.599647 1.148891
H -2.269603 2.729685 1.769382
H -1.321067 2.687648 0.227717
H -2.499835 1.819197 -1.785584
H -4.222799 1.310397 -1.560785
H 2.681230 2.695735 -1.178063
H 1.915559 2.411867 0.438238
H 2.967441 0.676435 1.880338
H 4.423312 -0.164140 1.207731
H -1.798487 -3.211096 1.544769
H -0.251024 -3.966350 2.091596
H -0.689524 -3.968687 0.333409


