%chk=000083696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083696

0 1
 S   -1.450300      -2.158700      0.3296000    
 O   -2.551800      -2.985700     -0.1265000    
 O  -0.8806000      -2.378900       1.645000    
 N  -0.2074000      -2.175000     -0.8624000    
 N    3.593900      0.1206000       1.325600    
 N    4.399900       1.139900      0.9846000    
 N   -3.310300       3.483300      7.7000000E-02
 C   0.8356000      -1.201500     -0.7819000    
 C    2.649200     -0.1869000      0.3840000    
 C   -2.004700     -0.4795000      0.2552000    
 C    2.862900      0.7111000     -0.6558000    
 C    1.645500      -1.157600      0.3578000    
 C    1.028400     -0.3118000      -1.840300    
 C    2.041200      0.6545000      -1.793800    
 C   -3.026800     -0.1458000     -0.6147000    
 C   -1.403900      0.4649000       1.067400    
 C    3.952300       1.496400     -0.2214000    
 C   -3.463200       1.177700     -0.6742000    
 C   -1.840200       1.788400       1.007800    
 C   -2.869800       2.144900      0.1370000    
 H  -0.5044000      -2.413600      -1.817600    
 H    1.535600      -1.854200       1.180400    
 H   0.3884000     -0.3574000      -2.718900    
 H    2.181000       1.341600      -2.622700    
 H   -3.495300     -0.8819000      -1.260500    
 H  -0.6068000      0.2092000       1.758100    
 H    3.741600     -0.3262000       2.221900    
 H    4.437700       2.314200     -0.7352000    
 H   -4.265000       1.443400      -1.358400    
 H   -1.370500       2.532600       1.646000    
 H   -2.880600       4.184600      0.6655000    
 H   -4.057300       3.742500     -0.5536000    


%chk=000083696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083696

0 1
S -1.444749 -2.016333 0.402110
O -2.558702 -3.085371 -0.107378
O -0.683099 -2.124176 1.834625
N 0.005805 -2.196876 -0.943017
N 3.990351 -0.244663 1.293270
N 4.849174 0.808505 0.970481
N -3.859554 3.532408 0.023301
C 1.054663 -1.247950 -0.832473
C 2.977411 -0.418423 0.356893
C -2.186095 -0.303821 0.288390
C 3.199305 0.596864 -0.642599
C 1.930508 -1.358679 0.276142
C 1.244213 -0.220924 -1.828238
C 2.314719 0.678826 -1.753793
C -3.309223 -0.111768 -0.539839
C -1.605631 0.740107 1.034876
C 4.366931 1.311435 -0.197935
C -3.870108 1.173362 -0.624297
C -2.167625 2.024246 0.943131
C -3.304722 2.262442 0.110232
H -0.511365 -2.155621 -1.841290
H 1.774845 -2.151666 1.011706
H 0.534461 -0.162535 -2.662852
H 2.458750 1.437610 -2.529845
H -3.750248 -0.959356 -1.075088
H -0.751088 0.541012 1.689114
H 4.168078 -0.773229 2.143648
H 4.874841 2.154454 -0.662710
H -4.753466 1.340556 -1.251296
H -1.733679 2.848397 1.520649
H -3.472937 4.308797 0.552803
H -4.677461 3.707469 -0.553721


