%chk=000039952.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039952

0 1
 O   0.4391000      -1.201400     -6.9799997E-02
 O    5.453700      -1.391300     -0.3560000    
 O    6.309900      0.8371000     -2.6400000E-02
 O   -6.859800      0.9881000     -0.6258000    
 O   -4.822400       1.201300      -1.595200    
 N  -0.1552000      0.9507000      0.3204000    
 C   -3.577800     -0.5482000      0.2407000    
 C   -5.033900     -0.2401000      0.3655000    
 C   -1.283100      0.1697000      0.2460000    
 C  -0.9233000      -1.148400      7.0000002E-03
 C   -2.643000      0.4895000      0.3678000    
 C    2.239300      0.3201000      9.3199998E-02
 C   0.8149000      9.0400003E-02  0.1276000    
 C   -3.171500      -1.866400     -6.0000003E-04
 C   -1.819000      -2.202300     -0.1249000    
 C    4.462200     -0.4811000     -0.1545000    
 C   -5.433000      0.3388000       1.737300    
 C    3.109000     -0.7499000     -0.1307000    
 C    4.951100      0.7914000      3.3900000E-02
 C    2.739000       1.620200      0.2856000    
 C    4.113900       1.865200      0.2565000    
 C   -5.531600      0.7157000     -0.7235000    
 C    6.621600     -0.5489000     -0.2741000    
 H   -5.604700      -1.167600      0.2203000    
 H   -2.947600       1.513900      0.5558000    
 H   -3.909400      -2.660200     -9.6400000E-02
 H   -1.494200      -3.218300     -0.3113000    
 H   -5.057800     -0.2943000       2.549000    
 H   -5.032500       1.348300       1.882800    
 H   -6.521700      0.4006000       1.840800    
 H    2.766500      -1.768000     -0.2835000    
 H    2.066500       2.457200      0.4603000    
 H    4.503300       2.866100      0.4048000    
 H    7.173300     -0.6213000      -1.218400    
 H    7.262000     -0.9149000      0.5366000    
 H   -7.158700       1.604500      -1.327800    


%chk=000039952-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039952

0 1
O 0.378273 -1.329256 -0.058109
O 5.608052 -1.375035 -0.359585
O 6.396659 0.878338 -0.084155
O -6.183311 0.412740 -1.661056
O -5.396593 2.179099 -0.377432
N -0.171790 0.899887 0.311320
C -3.698565 -0.493317 0.294345
C -5.186389 -0.146714 0.472545
C -1.361630 0.130375 0.262897
C -1.026665 -1.236385 0.036129
C -2.709449 0.516093 0.395852
C 2.256653 0.277559 0.073759
C 0.821134 0.035237 0.122873
C -3.328687 -1.851108 0.061082
C -1.978154 -2.254203 -0.071180
C 4.519669 -0.487155 -0.173515
C -5.505329 0.306859 1.920565
C 3.166241 -0.807105 -0.137091
C 4.987767 0.836648 -0.010966
C 2.730506 1.609420 0.237715
C 4.113237 1.908718 0.197737
C -5.579332 0.949615 -0.515565
C 6.826672 -0.524347 -0.351726
H -5.784009 -1.039429 0.221167
H -2.978626 1.564188 0.558258
H -4.116988 -2.607751 -0.021670
H -1.702273 -3.296374 -0.249911
H -5.190255 -0.471967 2.635993
H -4.972598 1.242177 2.160906
H -6.587735 0.486766 2.049530
H 2.806137 -1.830023 -0.262000
H 1.997319 2.405505 0.395424
H 4.483283 2.928825 0.322921
H 7.304756 -0.566705 -1.345851
H 7.492699 -0.854214 0.462821
H -6.385578 1.149241 -2.301027


