%chk=000083872.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083872

0 1
 S   -2.944300      -1.937000     -0.9730000    
 O   -3.339600       2.815100     -0.8295000    
 O    4.731400     -0.1435000      -1.307600    
 N   -2.001900       1.087500      1.5699999E-02
 N   -4.230700      0.9717000      0.3086000    
 N    5.539300      0.5237000      0.7672000    
 N    6.819800      0.7320000      0.2981000    
 C   -2.194000     -0.1234000      0.7908000    
 C   -3.728900     -0.2425000      0.9217000    
 C   -1.625900      -1.389000      0.1426000    
 C   -4.242700      -1.486100      0.1998000    
 C  -0.2996000      -1.220600     -0.5799000    
 C   0.8052000     -0.7692000      0.3752000    
 C   -3.207200       1.750400     -0.2416000    
 C    2.129900     -0.5688000     -0.3617000    
 C    3.225600     -8.5699998E-02  0.5858000    
 C    4.563500      8.5400000E-02 -0.1123000    
 H   -1.731400      5.3900000E-02   1.768500    
 H   -4.057200     -0.2375000       1.966500    
 H   -1.525800      -2.167100      0.9095000    
 H   -4.356000      -2.314700      0.9061000    
 H   -5.198100      -1.329600     -0.3094000    
 H  -0.3869000     -0.5042000      -1.406600    
 H  -3.5999999E-03  -2.177100      -1.030600    
 H   -1.095700       1.468400     -0.2373000    
 H   -5.210700       1.235700      0.2883000    
 H   0.9348000      -1.518500       1.165900    
 H   0.5327000      0.1705000      0.8672000    
 H    1.997900      0.1601000      -1.171000    
 H    2.435400      -1.511600     -0.8322000    
 H    2.942200      0.8777000       1.026300    
 H    3.357300     -0.8049000       1.403200    
 H    5.352500      0.6997000       1.749400    
 H    7.060700       1.698300      0.5149000    
 H    7.439800      0.1539000      0.8639000    


%chk=000083872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083872

0 1
S -2.882467 -1.788135 -1.303748
O -3.431373 2.961430 -0.660517
O 5.140524 -1.164025 -0.445012
N -2.111427 1.177865 0.207040
N -4.330649 0.959549 0.267665
N 5.534508 0.861090 0.619027
N 6.871898 0.994116 0.156351
C -2.285699 -0.136151 0.828845
C -3.866643 -0.312941 0.827019
C -1.628679 -1.316875 0.051467
C -4.246885 -1.556437 -0.024154
C -0.245179 -1.027267 -0.553424
C 0.841370 -0.732386 0.511202
C -3.305921 1.826110 -0.130090
C 2.234518 -0.534921 -0.125409
C 3.325840 -0.202123 0.919702
C 4.726091 -0.226017 0.300012
H -1.893688 -0.137044 1.866142
H -4.248373 -0.452489 1.857934
H -1.567628 -2.186867 0.735862
H -4.301581 -2.460284 0.608326
H -5.204048 -1.418133 -0.551467
H -0.329183 -0.180229 -1.261544
H 0.072594 -1.904291 -1.150376
H -1.214600 1.629832 0.056221
H -5.305922 1.194334 0.104526
H 0.886454 -1.572502 1.235156
H 0.571199 0.169971 1.099551
H 2.188697 0.273132 -0.882750
H 2.540017 -1.452694 -0.661844
H 3.119784 0.772859 1.404480
H 3.305318 -0.971726 1.717268
H 5.199479 1.618581 1.216143
H 6.889625 1.051769 -0.872191
H 7.439830 0.195898 0.475089


