%chk=000158006.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158006

0 1
 S   -1.414800      -4.160700      0.6583000    
 O    5.686300       1.410900     -9.2699997E-02
 N  -0.4981000      0.2827000      6.0400002E-02
 C   0.4845000     -0.6376000      0.1835000    
 C    1.825800     -0.1093000      0.1112000    
 C   -1.764000     -0.1834000      0.1240000    
 C   -2.790700      0.8275000     -9.1000004E-03
 C   0.2598000      -1.992600      0.3660000    
 C   -1.058300      -2.431400      0.4259000    
 C   -2.096600      -1.514700      0.3034000    
 C    2.863100     -0.8965000     -0.3933000    
 C    2.091100       1.191000      0.5465000    
 C   -4.024200      0.4990000     -0.5714000    
 C   -2.547000       2.130300      0.4252000    
 C    4.159500     -0.3860000     -0.4620000    
 C    3.387300       1.701500      0.4775000    
 C    4.421500      0.9130000     -2.6600000E-02
 C   -5.014000       1.473500     -0.6995000    
 C   -3.536900       3.104800      0.2973000    
 C   -4.770400       2.776300     -0.2651000    
 C   -2.360300      -4.548900     -0.8419000    
 C    6.696400      0.5505000     -0.6177000    
 H    1.069300      -2.705500      0.4880000    
 H   -3.125800      -1.849200      0.3843000    
 H    2.699100      -1.903100     -0.7689000    
 H    1.310700       1.828500      0.9555000    
 H   -4.247800     -0.4952000     -0.9486000    
 H   -1.601100       2.417400      0.8783000    
 H    4.914400      -1.049500     -0.8698000    
 H    3.586200       2.713200      0.8206000    
 H   -5.972400       1.220000      -1.143200    
 H   -3.348300       4.118900      0.6375000    
 H   -5.540700       3.535300     -0.3657000    
 H   -2.567800      -5.621900     -0.8663000    
 H   -1.785100      -4.283500      -1.733000    
 H   -3.312200      -4.011700     -0.8499000    
 H    6.501700      0.2936000      -1.664600    
 H    6.834600     -0.3371000      8.8999998E-03
 H    7.638900       1.107400     -0.5953000    


%chk=000158006-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158006

0 1
S -1.212880 -4.398828 -0.505756
O 5.805097 1.657495 -0.185928
N -0.447824 0.175257 -0.129037
C 0.585656 -0.724318 -0.224176
C 1.963338 -0.158217 -0.200197
C -1.737007 -0.280519 -0.146043
C -2.810245 0.754381 -0.040326
C 0.345556 -2.116839 -0.358385
C -0.987081 -2.591288 -0.356342
C -2.046342 -1.665560 -0.240077
C 3.114063 -0.960649 0.008516
C 2.151823 1.241856 -0.387371
C -4.154643 0.490001 -0.419044
C -2.485502 2.049599 0.446857
C 4.410470 -0.403341 0.023238
C 3.432889 1.811759 -0.379301
C 4.572171 0.990844 -0.175678
C -5.146335 1.487654 -0.304308
C -3.476364 3.045624 0.563952
C -4.813350 2.769658 0.191296
C -3.080947 -4.581215 -0.532778
C 7.013230 0.853065 0.014280
H 1.175133 -2.818514 -0.481068
H -3.085597 -1.997293 -0.199169
H 3.014197 -2.036803 0.186899
H 1.263996 1.861657 -0.540745
H -4.431231 -0.485853 -0.833568
H -1.446348 2.246384 0.726402
H 5.272435 -1.054703 0.195787
H 3.581152 2.885390 -0.529946
H -6.175830 1.268361 -0.609244
H -3.208349 4.036732 0.947061
H -5.583907 3.543608 0.280830
H -3.263436 -5.660308 -0.651218
H -3.511612 -4.039004 -1.388934
H -3.521949 -4.236419 0.415262
H 7.123596 0.088787 -0.779481
H 7.008889 0.360702 1.006192
H 7.846787 1.568358 -0.040752


