%chk=000049237.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049237

0 1
 S    1.669600     -7.4999998E-03  0.2832000    
 O  -0.7936000     -0.3391000       2.349700    
 O  -0.4874000      0.2003000      -2.304900    
 O   -3.269800       2.863600      0.1895000    
 N   -2.103000       1.194300       1.255900    
 N   -1.950600       1.463400      -1.069300    
 C  -0.9932000     -0.5561000     -5.7200000E-02
 C   -2.083400      -1.624900     -0.2525000    
 C   0.3850000      -1.233500     -4.5000002E-02
 C   -1.249700      0.1016000       1.295100    
 C   -1.082900      0.3959000      -1.245700    
 C   -1.917000      -2.308100      -1.604600    
 C   -2.034800      -2.642400      0.8810000    
 C    3.109400      -1.101100      0.2299000    
 C   -2.508200       1.897000      0.1275000    
 C    4.419100     -0.3802000      0.5485000    
 C    4.766000      0.7325000     -0.4444000    
 C    6.124500       1.344200     -0.1367000    
 H   -3.077200      -1.156500     -0.2362000    
 H   0.6362000      -1.702500     -0.9996000    
 H   0.4830000      -1.982600      0.7435000    
 H  -0.9594000      -2.819600      -1.728300    
 H   -2.684200      -3.086300      -1.708300    
 H   -2.078100      -1.634600      -2.450100    
 H   -1.118500      -3.237400      0.9041000    
 H   -2.846800      -3.367600      0.7375000    
 H   -2.212100      -2.210100       1.867900    
 H   -2.401600       1.569500       2.151900    
 H   -2.136800       2.037000      -1.887200    
 H    3.172900      -1.555000     -0.7648000    
 H    2.965500      -1.905800      0.9588000    
 H    4.379700      3.0700000E-02   1.565400    
 H    5.225700      -1.124200      0.5466000    
 H    4.777000      0.3301000      -1.464000    
 H    4.016300       1.529900     -0.4162000    
 H    6.355400       2.136000     -0.8562000    
 H    6.916800      0.5910000     -0.1955000    
 H    6.139200       1.781700      0.8666000    


%chk=000049237-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049237

0 1
S 1.902900 -0.873511 1.206766
O -1.152862 -0.465132 2.602783
O 0.446011 -0.363670 -1.909976
O -1.981673 3.179271 -0.150609
N -1.675136 1.274735 1.173863
N -0.852826 1.333560 -1.038405
C -0.761344 -0.842715 0.194961
C -2.088281 -1.610817 -0.320580
C 0.369208 -1.813340 0.591377
C -1.171185 -0.017344 1.429635
C -0.298280 0.040900 -0.977984
C -1.773807 -2.596371 -1.472705
C -2.838623 -2.347563 0.815311
C 3.110312 -1.249776 -0.224460
C -1.545140 2.009763 -0.016775
C 4.397210 -0.422712 -0.062823
C 4.201280 1.100448 -0.245130
C 5.529594 1.880463 -0.148125
H -2.759757 -0.819651 -0.715934
H 0.681151 -2.412826 -0.275584
H 0.045922 -2.466163 1.414567
H -1.240863 -3.488663 -1.097682
H -2.723677 -2.942566 -1.919073
H -1.164170 -2.140966 -2.270578
H -2.199140 -3.107822 1.297127
H -3.712569 -2.868351 0.383175
H -3.203632 -1.668748 1.603382
H -2.064534 1.787904 1.971601
H -0.654268 1.886480 -1.878675
H 2.585343 -1.008114 -1.164294
H 3.326217 -2.331813 -0.185287
H 4.854766 -0.626307 0.926726
H 5.123111 -0.785429 -0.820532
H 3.728254 1.286169 -1.230816
H 3.489764 1.472296 0.517107
H 5.369655 2.966163 -0.280348
H 6.245432 1.547538 -0.923806
H 6.008640 1.728280 0.837699


