%chk=000101398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101398

0 1
 S  -0.5963000      0.7388000      8.8900000E-02
 O  -0.2485000      -3.021000     -0.3717000    
 N    2.057800       1.009800      0.1268000    
 N    1.136100      -1.175600     -0.1440000    
 C   -1.208100     -0.8503000     -0.1073000    
 C   -3.648300     -0.3006000     -4.3900002E-02
 C    3.430900      0.7417000      9.7499996E-02
 C    1.041500      0.1090000      1.4100000E-02
 C   -2.510200      -1.199700     -0.1527000    
 C  -8.6400002E-02  -1.817100     -0.2245000    
 C   -4.210500     -3.5100002E-02   1.204800    
 C   -4.177800      0.2961000      -1.188200    
 C    4.329500       1.698800     -0.3903000    
 C    3.923300     -0.4870000      0.5554000    
 C   -5.302000      0.8271000       1.309000    
 C   -5.269200       1.158400      -1.083800    
 C    5.698200       1.431600     -0.4197000    
 C    5.292000     -0.7541000      0.5262000    
 C    6.179500      0.2052000      3.8699999E-02
 C   -5.831400       1.424000      0.1648000    
 H   -2.779400      -2.246100     -0.2806000    
 H    1.815600       1.996100      0.1109000    
 H   -3.809600     -0.4927000       2.106100    
 H   -3.751400      9.8800004E-02  -2.168900    
 H    3.969000       2.659000     -0.7515000    
 H    3.277800      -1.245900      0.9855000    
 H   -5.739900       1.034000       2.281200    
 H   -5.681500       1.623000      -1.974700    
 H    6.389500       2.178500     -0.7989000    
 H    5.668400      -1.704700      0.8927000    
 H    7.245500     -1.8000000E-03  1.8200001E-02
 H   -6.681300       2.095400      0.2461000    


%chk=000101398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101398

0 1
S -0.493839 0.991169 -0.317336
O -0.359821 -2.638787 1.281878
N 2.278878 0.925836 -0.389506
N 1.189097 -1.018966 0.508983
C -1.213467 -0.530852 0.382492
C -3.764998 -0.103271 0.291460
C 3.666505 0.591490 -0.295238
C 1.196254 0.182009 -0.021625
C -2.533175 -0.841413 0.570580
C -0.118570 -1.513770 0.775905
C -5.001033 -0.738807 0.622422
C -3.816479 1.200970 -0.286557
C 4.591710 1.566074 -0.754768
C 4.128266 -0.644262 0.226019
C -6.235279 -0.102842 0.388474
C -5.052350 1.835897 -0.520195
C 5.975293 1.306874 -0.693657
C 5.517712 -0.886178 0.278844
C 6.446827 0.077592 -0.176182
C -6.266924 1.190334 -0.185443
H -2.664809 -1.839520 1.017242
H 2.077775 1.848013 -0.785461
H -4.979384 -1.741458 1.066520
H -2.894038 1.724990 -0.556424
H 4.231632 2.521884 -1.157784
H 3.404863 -1.383702 0.576044
H -7.169585 -0.610577 0.651136
H -5.071658 2.837161 -0.964532
H 6.682577 2.063581 -1.049652
H 5.873556 -1.840787 0.681358
H 7.521970 -0.124275 -0.129135
H -7.224708 1.689194 -0.369662


