%chk=000099686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099686

0 1
 S   1.9999999E-04  3.9999999E-04  -1.291400    
 O   -3.443800      0.8148000      -2.160000    
 O    3.444200     -0.8136000      -2.160200    
 N   -2.741700       2.375300     -0.6335000    
 N    2.742000      -2.374900     -0.6345000    
 C   -1.263100     -0.5583000     -0.1538000    
 C    1.260600      0.5572000     -0.1560000    
 C   -2.542600     -2.9000000E-03 -0.1435000    
 C    2.542900      3.1000001E-03 -0.1434000    
 C  -0.9392000      -1.580000      0.7389000    
 C   0.9394000       1.579700      0.7396000    
 C   -3.498100     -0.4692000      0.7594000    
 C    3.498300      0.4690000      0.7598000    
 C   -1.894700      -2.046300       1.641800    
 C    1.894800       2.045700       1.642800    
 C   -3.174100      -1.491000       1.652000    
 C    3.174200       1.490300       1.652900    
 C   -2.936900       1.065500      -1.055100    
 C    2.937200      -1.064800      -1.055400    
 H   4.6399999E-02  -2.037100      0.7491000    
 H  -4.6100002E-02   2.037300      0.7505000    
 H   -4.499400     -4.6100002E-02  0.7780000    
 H    4.499600      4.5899998E-02  0.7784000    
 H   -1.643100      -2.843000       2.335800    
 H    1.643200       2.842100       2.337100    
 H   -3.918100      -1.854500       2.354700    
 H    3.918300       1.853600       2.355800    
 H   -2.341800       2.597000      0.2726000    
 H   -3.002100       3.157900      -1.224500    
 H    2.342100      -2.596900      0.2716000    
 H    3.002400      -3.157200      -1.225800    


%chk=000099686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099686

0 1
S 0.000269 0.003485 -1.091919
O -2.469264 0.680543 -2.540375
O 2.472326 -0.675148 -2.541380
N -3.919139 1.991431 -1.288398
N 3.913655 -1.994205 -1.287928
C -1.382976 -0.301128 0.105910
C 1.383997 0.304248 0.106496
C -2.695277 0.187366 -0.164390
C 2.695231 -0.186716 -0.163974
C -1.163828 -1.092022 1.261584
C 1.166227 1.094960 1.262531
C -3.748611 -0.121325 0.739910
C 3.749157 0.119263 0.740553
C -2.216598 -1.382290 2.153079
C 2.219525 1.382678 2.154259
C -3.519677 -0.896999 1.893287
C 3.521631 0.894848 1.894299
C -2.999546 0.958022 -1.423264
C 2.998403 -0.957053 -1.423470
H -0.161261 -1.482014 1.461458
H 0.164352 1.486728 1.462453
H -4.765178 0.216610 0.507739
H 4.764963 -0.220958 0.508381
H -2.022901 -2.002105 3.035408
H 2.027052 2.002424 3.036900
H -4.347059 -1.136533 2.569434
H 4.349429 1.132305 2.570676
H -4.244548 2.313221 -0.379089
H -4.170117 2.518684 -2.124335
H 4.236070 -2.317938 -0.378236
H 4.164696 -2.521380 -2.123900


