%chk=000176613.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176613

0 1
 S   -1.638500     -0.9529000     -0.3664000    
 S    2.670200     -0.5588000      -1.386400    
 O  -0.4144000       3.145600     -0.6428000    
 N   -3.997000      0.3094000      0.4003000    
 N    3.143300      0.2920000       1.189500    
 N  -0.7400000       1.878000     -0.1545000    
 N   0.2473000      0.9645000      9.3999997E-02
 C   -4.202500      -2.031900     -0.3229000    
 C   -4.749000     -0.9153000      0.5585000    
 C   -2.747500      -2.342100      7.3000002E-03
 C    4.936300      -1.054000      9.0999998E-02
 C   -2.649700      0.4161000      9.8499998E-02
 C    4.009800      -1.687100     -0.9353000    
 C    4.190700     -0.7124000       1.375700    
 C   -2.035800       1.615000      0.1144000    
 C    2.523800      0.3302000      7.3700003E-02
 C    1.453000       1.303600     -0.1945000    
 H   -4.804000      -2.934400     -0.1616000    
 H   -4.305900      -1.769100      -1.383500    
 H   -5.797400     -0.7267000      0.3034000    
 H   -4.722500      -1.219100       1.611300    
 H   -2.641900      -2.598000       1.067100    
 H   -2.411100      -3.206900     -0.5733000    
 H   -4.471800       1.174200      0.6433000    
 H    5.412400     -0.1563000     -0.3236000    
 H    5.742400      -1.759600      0.3245000    
 H    4.567400      -1.948700      -1.839800    
 H    3.571800      -2.608500     -0.5372000    
 H    3.753700      -1.613000       1.822800    
 H    4.911000     -0.3172000       2.100800    
 H   -2.614600       2.516800      0.2961000    
 H    1.784800       2.266000     -0.6199000    
 H  -0.1716000       3.614300      0.1742000    


%chk=000176613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176613

0 1
S -1.634821 -0.556336 -0.891884
S 2.056149 -1.229930 1.117796
O -0.638656 3.318598 0.209384
N -4.023855 0.170645 0.349108
N 3.630643 0.766600 -0.213959
N -0.777677 1.937800 0.998584
N 0.233023 1.066935 0.861418
C -4.169348 -1.855019 -1.111664
C -4.668550 -1.141538 0.158753
C -2.668023 -2.148491 -1.018024
C 4.543810 -1.635703 -0.213551
C -2.652125 0.431246 0.265385
C 3.792274 -2.002892 1.075650
C 4.808912 -0.116932 -0.312426
C -2.117334 1.500080 0.964578
C 2.494398 0.411881 0.320892
C 1.394056 1.380202 0.318523
H -4.721029 -2.809197 -1.220395
H -4.381744 -1.232652 -1.999694
H -5.756526 -0.965694 0.082894
H -4.497794 -1.808831 1.034642
H -2.429835 -2.776615 -0.143064
H -2.281037 -2.635032 -1.928065
H -4.547804 0.837948 0.920476
H 3.957733 -1.973718 -1.088835
H 5.515792 -2.166971 -0.238494
H 3.616942 -3.088243 1.153187
H 4.339410 -1.662060 1.971071
H 5.523184 0.190734 0.481122
H 5.303302 0.116787 -1.274452
H -2.792920 2.146972 1.535498
H 1.585997 2.341988 -0.173032
H -0.233848 3.901138 0.913277


