%chk=000063513.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063513

0 1
 S   -2.314300       1.178600      0.8338000    
 O   4.5000002E-02  -2.021800      -1.345600    
 N   0.9163000     -5.3800002E-02 -0.4256000    
 N   -1.942600     -0.9974000     -0.4998000    
 N    3.012300     -0.1106000      0.7115000    
 C  -0.2248000      0.7313000     -0.9017000    
 C  -0.2747000      0.7376000      -2.440100    
 C   -1.361700       1.639800      -3.060900    
 C   -1.481900      0.1855000     -0.2559000    
 C   -1.187200       3.076300      -2.559400    
 C   -2.775900       1.152800      -2.741400    
 C    1.956200      0.5292000      0.3145000    
 C   0.9320000      -1.420500     -0.7459000    
 C    2.133100      -2.159800     -0.3031000    
 C    3.124900      -1.471700      0.4002000    
 C    1.856800       1.956200      0.6732000    
 C   -3.463000     -8.9500003E-02   1.047100    
 C   -3.096200      -1.177500      0.2493000    
 C    2.273700      -3.522400     -0.5896000    
 C    4.265800      -2.168200      0.8153000    
 C    2.375900       2.920000     -0.1846000    
 C    1.244500       2.326000       1.865800    
 C   -4.606200     -0.1193000       1.861800    
 C   -3.903900      -2.335200      0.2695000    
 C    3.415600      -4.203000     -0.1697000    
 C    4.411200      -3.527000      0.5318000    
 C   -5.388200      -1.277100       1.863200    
 C   -5.043500      -2.371800       1.078100    
 C    2.281800       4.269800      0.1545000    
 C    1.150300       3.675800       2.204700    
 C    1.669000       4.647600       1.349000    
 H  -0.1052000       1.767600     -0.5916000    
 H  -0.4180000     -0.2683000      -2.849500    
 H   0.7029000       1.070300      -2.816700    
 H   -1.223800       1.623800      -4.149200    
 H   -1.829300       3.750300      -3.138000    
 H  -0.1548000       3.417000      -2.690900    
 H   -1.463000       3.203300      -1.509100    
 H   -3.168600       1.515400      -1.793300    
 H   -2.859900      6.4000003E-02  -2.803500    
 H   -3.460200       1.555300      -3.499500    
 H    1.509400      -4.067200      -1.136800    
 H    5.050500      -1.654200       1.365500    
 H    2.853200       2.635100      -1.118400    
 H   0.8386000       1.575900       2.539200    
 H   -4.881400      0.7316000       2.477300    
 H   -3.643600      -3.195900     -0.3400000    
 H    3.529100      -5.260500     -0.3900000    
 H    5.300800      -4.057200      0.8591000    
 H   -6.277400      -1.320900       2.486800    
 H   -5.663900      -3.263800       1.092100    
 H    2.684500       5.026600     -0.5125000    
 H   0.6727000       3.970000       3.134700    
 H    1.595000       5.698600       1.612700    


%chk=000063513-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063513

0 1
S -1.555425 -0.754937 1.694853
O 0.027766 -2.337170 -0.980812
N 0.725550 -0.198168 -0.315462
N -2.952715 -0.464358 -0.595160
N 2.974667 0.224346 0.447598
C -0.577812 0.316064 -0.860035
C -0.695035 0.140373 -2.412140
C -0.955440 1.455456 -3.200306
C -1.746108 -0.300164 -0.113834
C 0.260069 2.413498 -3.175254
C -2.249331 2.177697 -2.752082
C 1.737306 0.646357 0.209834
C 0.954577 -1.606006 -0.522785
C 2.312906 -2.069634 -0.205575
C 3.293199 -1.123244 0.229166
C 1.453391 2.080031 0.533238
C -3.310998 -1.195222 1.663503
C -3.860699 -0.968381 0.358532
C 2.660120 -3.435532 -0.374445
C 4.623205 -1.564196 0.478962
C 2.409759 3.051931 0.137570
C 0.324953 2.491104 1.292754
C -4.098331 -1.705734 2.713701
C -5.223425 -1.254261 0.111541
C 3.974966 -3.857998 -0.120086
C 4.957373 -2.916594 0.303717
C -5.458494 -1.985176 2.449390
C -6.014953 -1.760914 1.161080
C 2.224699 4.411868 0.461783
C 0.148397 3.851833 1.625471
C 1.090051 4.818131 1.203055
H -0.580964 1.397537 -0.636869
H -1.502378 -0.580574 -2.617314
H 0.243361 -0.312824 -2.781057
H -1.103635 1.136333 -4.253916
H 0.078102 3.293151 -3.820421
H 1.176313 1.909133 -3.537168
H 0.463240 2.793492 -2.156051
H -2.144791 2.605249 -1.735465
H -3.106824 1.482928 -2.730977
H -2.484352 3.015277 -3.435002
H 1.884179 -4.131443 -0.709307
H 5.356813 -0.825572 0.815406
H 3.296233 2.722211 -0.412711
H -0.393258 1.750664 1.663368
H -3.677357 -1.884840 3.707610
H -5.633385 -1.079969 -0.887535
H 4.248272 -4.910718 -0.247297
H 5.981413 -3.253525 0.499065
H -6.089591 -2.382378 3.251692
H -7.071330 -1.988026 0.982852
H 2.965556 5.152468 0.141680
H -0.719525 4.153111 2.221843
H 0.947619 5.874016 1.458200


