%chk=000078442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078442

0 1
 O    2.688300      -1.855300     -0.6750000    
 O   0.6818000       2.681400      0.4536000    
 N    1.216100      0.4683000     -0.1135000    
 C   -2.893300     -0.3936000      0.1596000    
 C   -3.816000      0.6249000     -0.1784000    
 C   -1.079700       1.222500      2.9600000E-02
 C   -1.528400     -7.8299999E-02  0.2596000    
 C   -3.346800       1.928800     -0.4065000    
 C   -1.987100       2.224100     -0.3030000    
 C    2.631700      0.4634000     -6.1900001E-02
 C   0.3373000       1.531800      0.1358000    
 C   -3.362500      -1.697300      0.3879000    
 C   -5.180900      0.3093000     -0.2781000    
 C    3.329900     -0.6986000     -0.3450000    
 C   -4.722100      -1.993000      0.2844000    
 C   -5.629600     -0.9916000     -4.7800001E-02
 C    3.287800       1.636400      0.2738000    
 C    4.723600     -0.6877000     -0.2908000    
 C    4.681500       1.647200      0.3279000    
 C    5.399500      0.4852000      4.5699999E-02
 C    2.904600      -2.980100      0.1739000    
 C    1.664300      -3.848000      0.1683000    
 H  -0.8455000     -0.8697000      0.5603000    
 H   -4.038100       2.726900     -0.6688000    
 H   -1.657500       3.242600     -0.4916000    
 H   -2.671700      -2.496500      0.6486000    
 H   -5.908200       1.076200     -0.5366000    
 H   0.8257000     -0.4223000     -0.4095000    
 H   -5.071900      -3.005500      0.4634000    
 H   -6.688000      -1.222300     -0.1282000    
 H    2.811200       2.576300      0.5058000    
 H    5.297400      -1.582600     -0.5163000    
 H    5.209300       2.560000      0.5893000    
 H    6.484900      0.4942000      8.6000003E-02
 H    3.760200      -3.550800     -0.2034000    
 H    3.116900      -2.663100       1.202600    
 H    1.799700      -4.728400      0.8025000    
 H   0.7976000      -3.283100      0.5276000    
 H    1.428900      -4.178000     -0.8490000    


%chk=000078442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078442

0 1
O 2.451414 -1.762609 -0.023718
O 0.667229 2.833107 -0.031079
N 1.227069 0.554256 -0.017183
C -3.014540 -0.352293 0.251987
C -3.938104 0.646994 -0.247516
C -1.133620 1.208361 -0.099938
C -1.617631 -0.041468 0.314121
C -3.420056 1.924032 -0.648989
C -2.058327 2.200748 -0.572242
C 2.637104 0.611812 0.103135
C 0.319650 1.608973 -0.041955
C -3.527551 -1.624360 0.673841
C -5.334608 0.331604 -0.313367
C 3.312402 -0.650244 0.101951
C -4.893805 -1.903576 0.598298
C -5.804870 -0.917685 0.099506
C 3.396773 1.800045 0.223148
C 4.713404 -0.720611 0.220317
C 4.803808 1.724122 0.343637
C 5.461265 0.476115 0.342289
C 3.054250 -3.108607 -0.056297
C 1.912779 -4.108681 -0.216710
H -0.945086 -0.802152 0.732172
H -4.117031 2.685942 -1.017376
H -1.651516 3.175848 -0.857140
H -2.828908 -2.378180 1.056927
H -6.031547 1.088855 -0.691836
H 0.867913 -0.398755 -0.125842
H -5.276146 -2.877999 0.921206
H -6.874362 -1.148941 0.045962
H 2.873128 2.757395 0.215904
H 5.228106 -1.685716 0.220309
H 5.382456 2.649072 0.436194
H 6.551303 0.423481 0.433810
H 3.764650 -3.166476 -0.905774
H 3.612474 -3.279428 0.886534
H 2.315513 -5.137097 -0.250889
H 1.209066 -4.040330 0.630780
H 1.356853 -3.921854 -1.151377


