%chk=000072601.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072601

0 1
 S   0.8909000      -1.334200     -4.5600001E-02
 P   -1.659200     -0.2405000     -9.4800003E-02
 P   0.5525000       1.396200     -0.1683000    
 O    1.304700      -1.671200      -1.394000    
 N   -2.587800     -0.9649000      -1.246600    
 N   -2.630500      0.2908000       1.123300    
 N    1.402100       2.171500      -1.350800    
 N   0.3440000       2.445300       1.087400    
 N  -0.8883000       1.000400     -0.7575000    
 N  -0.5415000      -1.379700      0.5208000    
 N    1.427100      0.1469000      0.3483000    
 N    1.779700      -2.394600      0.9537000    
 C   -3.617200     -0.1410000      -1.881000    
 C   -2.380600     -0.5406000      -2.631600    
 C   -3.409000     -0.7213000       1.836700    
 C   -2.233100     -5.4200001E-02   2.488300    
 C    1.652500       1.423400      -2.582300    
 C    2.761800       1.698800      -1.609700    
 C    1.553900       2.920400       1.755300    
 C   0.6375000       1.940000       2.427000    
 C    3.233800      -2.419100      0.8548000    
 C    2.406900      -3.572500      0.3666000    
 H   -3.710300      0.8865000      -1.557900    
 H   -4.541800     -0.6503000      -2.114900    
 H   -2.471800      -1.325400      -3.371900    
 H   -1.653400      0.2206000      -2.868500    
 H   -3.307400      -1.751000       1.523300    
 H   -4.400500     -0.4159000       2.141600    
 H   -2.435600      0.7064000       3.232000    
 H   -1.350000     -0.6427000       2.680600    
 H    1.622400       2.008000      -3.492400    
 H    1.238800      0.4323000      -2.661700    
 H    3.176800      0.8675000      -1.061300    
 H    3.476300       2.470800      -1.866200    
 H    1.529300       3.949100       2.087400    
 H    2.508300       2.563600       1.394300    
 H   0.9777000      0.9252000       2.565300    
 H  -8.1000002E-03   2.311800       3.212400    
 H    3.764300      -2.533200       1.790000    
 H    3.701300      -1.776100      0.1217000    
 H    2.340900      -3.742400     -0.6983000    
 H    2.378200      -4.466600      0.9756000    


%chk=000072601-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072601

0 1
S 1.158773 -1.350959 -0.245763
P -1.630349 -0.335437 -0.296569
P 0.609589 1.582405 -0.340787
O 2.144770 -2.016284 -1.370372
N -2.963032 -0.649073 -1.403903
N -2.506072 -0.456396 1.251250
N 1.178984 2.295438 -1.862496
N 0.858924 2.936710 0.773552
N -1.043753 1.250237 -0.502054
N -0.534676 -1.687683 -0.646102
N 1.628224 0.274150 0.290765
N 1.425174 -2.302446 1.437288
C -3.873436 0.512677 -1.766325
C -2.902199 -0.049306 -2.790278
C -2.850848 -1.841985 1.765762
C -1.772983 -1.025980 2.455802
C 1.914574 1.402581 -2.846640
C 2.670341 2.469161 -2.074055
C 1.947976 2.852711 1.835556
C 0.484377 2.751685 2.225276
C 2.879202 -2.772827 1.565842
C 1.814176 -3.758747 1.149369
H -3.632446 1.494583 -1.342521
H -4.932792 0.243591 -1.801589
H -3.256163 -0.722749 -3.575406
H -2.035729 0.575100 -3.040595
H -2.525706 -2.701532 1.167262
H -3.854917 -1.908979 2.194910
H -2.004604 -0.508638 3.391548
H -0.735183 -1.366843 2.335181
H 1.636291 1.581376 -3.888764
H 2.110451 0.355293 -2.576685
H 3.351642 2.120294 -1.287824
H 2.936006 3.416749 -2.551476
H 2.491148 3.791683 1.977644
H 2.536934 1.929498 1.879528
H 0.112124 1.770288 2.544731
H -0.031450 3.614445 2.656297
H 3.251663 -2.738746 2.593648
H 3.579973 -2.448498 0.787320
H 1.817643 -4.074030 0.098699
H 1.382980 -4.465415 1.864073


