%chk=000154705.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154705

0 1
 S   0.1773000       2.061700      0.3209000    
 O   0.9654000       2.509500       1.459400    
 O  -0.8267000       2.951800     -0.2413000    
 N    1.257300       1.545900     -0.9156000    
 N   -2.316700      0.9026000     -0.8294000    
 C  -0.6114000      0.5638000      0.7856000    
 C   -1.780100      0.1519000      0.1510000    
 C   -2.369300      -1.060300      0.5675000    
 C    2.147400      0.4530000     -0.6297000    
 C  -2.7400000E-02 -0.1901000       1.806400    
 C    2.002800     -0.7661000      -1.282800    
 C   -1.782000      -1.819000       1.594100    
 C  -0.6131000      -1.383000       2.211500    
 C    3.155300      0.6368000      0.3110000    
 C   -3.545600      -1.475700     -7.1099997E-02
 C    2.876200      -1.814100     -0.9919000    
 C   0.9263000     -0.9831000      -2.295700    
 C    4.028800     -0.4112000      0.6019000    
 C   -4.100800     -0.7042000      -1.081700    
 C    3.889200      -1.636500     -4.9699999E-02
 C   -3.452700      0.4664000      -1.420200    
 H   0.8951000       1.581800      -1.876500    
 H   0.8826000      0.1301000       2.305200    
 H   -2.232200      -2.754500       1.918600    
 H  -0.1625000      -1.972000       3.004400    
 H    3.296100       1.589300      0.8131000    
 H   -4.035700      -2.403300      0.2158000    
 H    2.781800      -2.775400      -1.489800    
 H   0.9529000      -2.000900      -2.700800    
 H  -6.3699998E-02 -0.8416000      -1.858800    
 H    1.051600     -0.2991000      -3.141500    
 H    4.820700     -0.2716000       1.331900    
 H   -5.009700      -1.010300      -1.586100    
 H    4.570000      -2.452000      0.1762000    
 H   -3.840000       1.110300      -2.203000    


%chk=000154705-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154705

0 1
S 0.402676 1.765348 0.836638
O 1.566386 1.704968 1.974484
O -0.429694 3.130298 0.596764
N 1.214455 1.325856 -0.889647
N -1.827029 0.515279 -0.890840
C -0.826090 0.381600 1.324902
C -1.842085 0.002045 0.399100
C -2.844287 -0.939138 0.859115
C 2.284025 0.393838 -0.878464
C -0.728286 -0.145079 2.605597
C 2.214857 -0.850909 -1.592486
C -2.751943 -1.471312 2.186453
C -1.708461 -1.096006 3.035670
C 3.479870 0.760380 -0.195085
C -3.886053 -1.287034 -0.061611
C 3.364491 -1.674700 -1.607275
C 0.968234 -1.259188 -2.357331
C 4.594182 -0.098613 -0.197472
C -3.888695 -0.729439 -1.341553
C 4.542078 -1.320101 -0.909410
C -2.828369 0.156636 -1.717426
H 0.369188 1.063819 -1.436924
H 0.087362 0.177421 3.261756
H -3.513287 -2.182827 2.527045
H -1.639284 -1.514139 4.044754
H 3.511186 1.719333 0.328327
H -4.668905 -1.988013 0.249694
H 3.331397 -2.615781 -2.169762
H 1.091717 -2.265083 -2.792348
H 0.071878 -1.279333 -1.710063
H 0.750097 -0.563673 -3.191612
H 5.503606 0.190389 0.339954
H -4.673178 -0.967664 -2.065444
H 5.410908 -1.987157 -0.928518
H -2.795749 0.578879 -2.728081


