%chk=000137739.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137739

0 1
 S   4.5100000E-02  0.4254000     -0.9773000    
 O  -0.1656000     -0.2671000      -2.237200    
 O   0.2839000       1.858600     -0.9991000    
 N   -1.303400      0.1162000      4.3299999E-02
 N    1.353300     -0.3295000     -0.1560000    
 C   -1.289000      0.6162000       1.437400    
 C   -2.042600      -1.159700     -9.6299998E-02
 C    1.302800      -1.786500      0.1060000    
 C    2.732600      0.1608000     -0.3818000    
 C   -1.865200       2.017000       1.484400    
 C   -3.494400     -0.8762000     -0.4254000    
 C    1.392200      -2.041500       1.597000    
 C    3.050500       1.266100      0.6048000    
 H   -1.871200     -3.0099999E-02   2.103000    
 H  -0.2672000      0.6263000       1.829000    
 H   -1.635600      -1.761900     -0.9135000    
 H   -1.958100      -1.772000      0.8078000    
 H   0.3858000      -2.231000     -0.2815000    
 H    2.114900      -2.303700     -0.4176000    
 H    3.471000     -0.6397000     -0.2650000    
 H    2.831000      0.5251000      -1.410400    
 H   -1.263800       2.724200      0.9067000    
 H   -2.883400       2.037600       1.081700    
 H   -1.901200       2.376600       2.517700    
 H   -3.980700     -0.3151000      0.3793000    
 H   -3.581100     -0.2862000      -1.344100    
 H   -4.044000      -1.812000     -0.5665000    
 H    2.316400      -1.631500       2.016900    
 H   0.5518000      -1.590200       2.131600    
 H    1.378200      -3.117400       1.797900    
 H    2.382900       2.124300      0.4887000    
 H    2.955200      0.9102000       1.636000    
 H    4.076700       1.618400      0.4608000    


%chk=000137739-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137739

0 1
S -0.097097 0.040985 -1.200979
O -0.366959 -1.174154 -2.251316
O 0.313214 1.515532 -1.742923
N -1.699606 0.233272 -0.209239
N 1.253639 -0.498786 0.136893
C -1.487139 1.087942 1.005063
C -2.298158 -1.111713 0.069200
C 1.619274 -1.926180 -0.121395
C 2.401859 0.461709 0.129600
C -1.495309 2.591883 0.687198
C -3.831479 -0.973403 0.151690
C 2.263613 -2.527068 1.144514
C 2.632824 1.056266 1.532459
H -2.334377 0.845663 1.675056
H -0.560346 0.785654 1.540037
H -2.039375 -1.772909 -0.776674
H -1.891308 -1.556936 1.003817
H 0.700760 -2.482762 -0.375376
H 2.308849 -2.026295 -0.987487
H 3.314297 -0.052043 -0.238786
H 2.181492 1.280106 -0.585137
H -0.663545 2.865735 0.017907
H -2.437961 2.871987 0.186542
H -1.406675 3.172840 1.624377
H -4.143852 -0.306009 0.974961
H -4.227610 -0.565260 -0.792923
H -4.284199 -1.966555 0.328296
H 3.215441 -2.026403 1.393890
H 1.584295 -2.434513 2.009599
H 2.477316 -3.598342 0.974679
H 1.740625 1.612347 1.871375
H 2.848677 0.269733 2.275909
H 3.486622 1.759375 1.507474


