%chk=000099556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099556

0 1
 S   0.9361000      -1.102800     -0.6580000    
 O    1.103100      -2.344300      7.0400000E-02
 O    1.170400     -0.9906000      -2.082700    
 N    2.073400     -4.8200000E-02  9.9399999E-02
 N    2.875200       1.354900       1.525400    
 C  -0.6392000     -0.4106000     -0.3146000    
 C  -0.9435000      0.8798000     -0.7479000    
 C   -1.587700      -1.151200      0.3907000    
 C   -3.144700      0.6891000      0.2293000    
 C   -2.196200       1.429800     -0.4759000    
 C   -2.840500     -0.6014000      0.6626000    
 C   4.6500001E-02   1.702800      -1.506300    
 C   -1.297600      -2.536400      0.8706000    
 C   -4.484500       1.276700      0.5198000    
 C    3.306300      0.1518000     -0.3464000    
 C    1.813700      0.6533000       1.195500    
 C    3.809100       1.047200      0.5680000    
 H   -2.440100       2.435200     -0.8112000    
 H   -3.585300      -1.173500       1.210900    
 H   0.8729000       2.046400     -0.8847000    
 H  -0.4312000       2.618900      -1.877900    
 H   0.4117000       1.204000      -2.405400    
 H   -1.049900      -3.212000      4.6100002E-02
 H  -0.5505000      -2.539200       1.670000    
 H   -2.196100      -2.976100       1.323800    
 H   -4.891800      0.8871000       1.459000    
 H   -4.424700       2.365300      0.6248000    
 H   -5.181800       1.040200     -0.2900000    
 H    3.740200     -0.3140000      -1.220100    
 H   0.8860000      0.6435000       1.751000    
 H    4.796500       1.485000      0.5863000    


%chk=000099556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099556

0 1
S 0.973761 -1.201590 -0.775991
O 1.152810 -2.678655 -0.148377
O 1.377968 -0.972809 -2.330971
N 2.145389 -0.032284 0.197577
N 3.159290 1.101446 1.849467
C -0.724053 -0.430708 -0.342695
C -0.978925 0.867304 -0.866747
C -1.644279 -1.181117 0.439117
C -3.212118 0.737379 0.206367
C -2.245741 1.424159 -0.565388
C -2.889342 -0.548584 0.695498
C 0.000031 1.681103 -1.693634
C -1.421107 -2.571732 1.008826
C -4.569024 1.355877 0.481251
C 3.312093 0.505593 -0.373337
C 2.094603 0.337054 1.542097
C 3.921868 1.207045 0.664481
H -2.472163 2.426081 -0.948262
H -3.624896 -1.093740 1.298507
H 0.908736 1.932404 -1.116598
H -0.470070 2.625653 -2.010486
H 0.333169 1.129300 -2.588344
H -1.248291 -3.319790 0.216680
H -0.534740 -2.621482 1.663078
H -2.306551 -2.875441 1.590900
H -4.993562 0.997349 1.434588
H -4.512207 2.457198 0.521539
H -5.287582 1.092872 -0.318906
H 3.567830 0.336011 -1.415528
H 1.296340 0.046508 2.219328
H 4.846564 1.778295 0.648462


