%chk=000157252.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157252

0 1
 S    3.613200       1.033400      0.9508000    
 O   -3.419400       2.416100      5.0999999E-02
 N   -3.634000       1.061800      4.5200001E-02
 N  -3.0099999E-02  3.9000001E-02  0.3259000    
 N    1.386400      -1.842700      0.6859000    
 C   -2.422000      0.3656000      0.5946000    
 C   -1.201100      0.6487000     -0.2585000    
 C   0.8645000      0.8718000       1.131500    
 C   -4.828900      0.7458000      0.8983000    
 C   -3.883900      0.6059000      -1.363900    
 C   0.2655000      -1.316500      0.1253000    
 C    2.055300       1.403400      0.3801000    
 C  -0.6171000      -2.065900     -0.6487000    
 C    2.053800       2.174300     -0.7424000    
 C  -0.3377000      -3.412100     -0.8562000    
 C    3.381300       2.479300      -1.160000    
 C    4.326600       1.921200     -0.3278000    
 C    1.624900      -3.154500      0.4624000    
 C   0.8026000      -3.974600     -0.2935000    
 H   -2.286600      0.7493000       1.613700    
 H   -2.671100     -0.6987000      0.6571000    
 H   -1.304500      0.3614000      -1.308800    
 H   -1.050000       1.734900     -0.3102000    
 H    1.166100      0.3284000       2.037000    
 H   0.3072000       1.738400       1.514900    
 H   -5.680600       1.300700      0.4953000    
 H   -5.001000     -0.3327000      0.8573000    
 H   -4.605800       1.076900       1.916200    
 H   -3.138100       1.052300      -2.024500    
 H   -3.863100     -0.4864000      -1.385400    
 H   -4.871800      0.9771000      -1.653400    
 H   -1.517200      -1.682500      -1.111300    
 H    1.162100       2.514500      -1.252700    
 H   -1.006600      -4.022700      -1.455300    
 H    3.630400       3.078100      -2.026500    
 H    5.402000       1.992400     -0.4097000    
 H    2.526700      -3.544400      0.9227000    
 H    1.040400      -5.021600     -0.4420000    


%chk=000157252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157252

0 1
S 3.150162 0.997213 -0.460754
O -2.031348 2.131443 0.644580
N -3.020820 1.296545 0.031021
N 0.006960 -0.563246 0.101738
N 1.362759 -2.237678 1.062034
C -2.463129 -0.136659 -0.213217
C -1.034363 -0.087471 -0.813249
C 0.668263 0.464378 0.955421
C -4.221559 1.195337 0.959203
C -3.449600 1.922211 -1.291878
C 0.319255 -1.914084 0.222900
C 1.507243 1.439766 0.171131
C -0.403947 -2.934540 -0.483293
C 1.179938 2.741010 -0.188580
C -0.012042 -4.275557 -0.328631
C 2.204800 3.416274 -0.950264
C 3.321079 2.629908 -1.188347
C 1.710240 -3.543794 1.198405
C 1.069851 -4.606875 0.524887
H -2.431089 -0.611196 0.780808
H -3.184430 -0.679624 -0.854085
H -0.991620 -0.652063 -1.761690
H -0.795618 0.968927 -1.033551
H 1.266100 -0.084240 1.700081
H -0.131205 1.048253 1.450960
H -4.638068 2.207212 1.070083
H -4.981808 0.496183 0.564626
H -3.840891 0.855755 1.932817
H -2.568744 1.952768 -1.949118
H -4.269956 1.352824 -1.765701
H -3.760651 2.952243 -1.066120
H -1.253051 -2.687809 -1.126747
H 0.215065 3.176252 0.089696
H -0.554459 -5.061817 -0.866192
H 2.115635 4.445977 -1.306000
H 4.234330 2.877822 -1.727118
H 2.547040 -3.736265 1.881117
H 1.398078 -5.639982 0.667427


