%chk=000227015.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227015

0 1
 S  -0.8524000      -3.125900      0.4639000    
 O   -1.535100      -4.240300     -0.1646000    
 O  -0.5612000      -3.150300       1.884600    
 O   -3.495000       3.197400       1.095300    
 N   0.5823000      -2.790400     -0.3900000    
 N   -4.066600       1.730400     -0.6596000    
 N    1.315400      -1.609100      3.1099999E-02
 C   -1.811200      -1.678200      0.1293000    
 C   -1.716900     -0.5939000      0.9837000    
 C   -2.637100      -1.657400     -0.9808000    
 C   -3.310600      0.5877000     -0.3952000    
 C   -2.472800      0.5482000      0.7194000    
 C   -3.392800     -0.5151000      -1.245300    
 C    3.297300     -0.2821000     -0.3729000    
 C    4.980100       1.887500      0.1218000    
 C    4.468200     -0.1241000      -1.114500    
 C    2.967700      0.6450000      0.6159000    
 C    5.309600      0.9605000     -0.8672000    
 C    3.809100       1.729800      0.8631000    
 C    2.420300      -1.413700     -0.6292000    
 C    5.878600       3.048500      0.3849000    
 C   -4.115500       2.923700      7.2899997E-02
 C   -5.061200       3.921800     -0.5467000    
 H   -1.065500     -0.6042000       1.852300    
 H   -2.708800      -2.502100      -1.658800    
 H   -2.355200       1.361800       1.421500    
 H   -4.040300     -0.4976000      -2.118400    
 H   0.7111000      -3.125400      -1.352300    
 H   -4.652700       1.680700      -1.490500    
 H    4.738100     -0.8379000      -1.888500    
 H    2.061900      0.5481000       1.208600    
 H    6.218000       1.073800      -1.452900    
 H    3.540500       2.446800       1.634500    
 H    2.728000      -2.118300      -1.423300    
 H    5.830500       3.355300       1.435300    
 H    6.923100       2.795900      0.1729000    
 H    5.588700       3.897400     -0.2422000    
 H   -4.716600       4.182500      -1.551300    
 H   -5.096100       4.828200      6.4000003E-02
 H   -6.066500       3.494600     -0.6043000    


%chk=000227015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227015

0 1
S -0.777707 -2.903857 0.461145
O -1.438401 -4.265447 -0.139944
O -0.234592 -2.805885 1.991043
O -3.965027 3.337454 1.033132
N 0.635973 -2.556469 -0.839330
N -4.536885 1.743071 -0.594469
N 1.461568 -1.540504 -0.442005
C -1.909474 -1.453338 0.142292
C -1.817060 -0.332636 0.981328
C -2.830397 -1.553998 -0.913815
C -3.629087 0.690232 -0.306237
C -2.686417 0.754340 0.758200
C -3.696409 -0.468745 -1.132366
C 3.598554 -0.379903 -0.505566
C 5.383929 1.765105 0.149499
C 4.942003 -0.383107 -0.969501
C 3.155454 0.716992 0.289489
C 5.818269 0.673692 -0.644149
C 4.035318 1.764042 0.608391
C 2.718777 -1.500603 -0.846337
C 6.320437 2.905538 0.503870
C -4.675359 2.981055 0.050346
C -5.762205 3.881186 -0.530184
H -1.092247 -0.316950 1.801035
H -2.876197 -2.457474 -1.529275
H -2.648003 1.645008 1.386855
H -4.428900 -0.520102 -1.947343
H 1.047173 -3.496221 -1.053639
H -5.170453 1.572528 -1.378601
H 5.300775 -1.217843 -1.585146
H 2.119584 0.722083 0.643351
H 6.851760 0.652126 -1.009711
H 3.679663 2.600292 1.223099
H 3.147598 -2.301364 -1.481535
H 6.436934 3.002246 1.599936
H 7.323845 2.756648 0.069863
H 5.931946 3.873467 0.134431
H -5.302682 4.828637 -0.860489
H -6.482534 4.130654 0.267634
H -6.311125 3.437651 -1.378797


