%chk=000085092.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085092

0 1
 O  -0.9692000     -0.1413000      -1.110200    
 O    1.938500       4.184400      3.0999999E-02
 O   -2.280700      -2.037100      -1.263400    
 O   -6.383500     -0.5326000       1.173000    
 O   -5.093900       1.335300       1.328100    
 N    1.725900      0.5767000     -0.6982000    
 C    1.251000      0.1593000      -1.997000    
 C    1.300300       1.878800     -0.1832000    
 C    2.586300     -0.2302000      5.8600001E-02
 C   7.6600000E-02 -0.7916000      -1.839900    
 C    2.378400       2.917500     -0.4417000    
 C    3.043300      0.2023000       1.308600    
 C    2.997000      -1.476100     -0.4287000    
 C    3.900200     -0.6006000       2.061500    
 C    3.853800      -2.279000      0.3243000    
 C    4.305400      -1.841100       1.569400    
 C   -2.086400     -0.8884000     -0.8987000    
 C   -3.045400     -5.4900002E-02 -0.1389000    
 C   -4.236800     -0.5661000      0.1953000    
 C   -5.260700      0.1847000      0.9500000    
 H    2.043200     -0.2720000      -2.618800    
 H   0.9059000       1.040100      -2.554800    
 H   0.9978000       1.845000      0.8703000    
 H   0.3845000       2.205600     -0.6947000    
 H   0.3603000      -1.708000      -1.312200    
 H  -0.2992000      -1.064300      -2.833200    
 H    2.579300       3.004400      -1.515200    
 H    3.321500       2.678200      5.7200000E-02
 H    2.765800       1.152700       1.751000    
 H    2.684900      -1.870900      -1.389500    
 H    4.252000     -0.2610000       3.031400    
 H    4.170700      -3.244800     -5.8499999E-02
 H    4.972600      -2.466300       2.155600    
 H    2.645400       4.822900     -0.1638000    
 H   -2.756600      0.9555000      0.1293000    
 H   -4.507300      -1.581000     -8.2900003E-02
 H   -7.053400     -2.1299999E-02   1.675300    


%chk=000085092-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085092

0 1
O -1.087900 -0.149814 -1.099109
O 1.721522 4.173102 0.234892
O -2.365426 -2.107397 -1.113844
O -6.691326 -0.372625 1.002000
O -5.438985 1.592372 0.964679
N 1.813817 0.533224 -0.606880
C 1.205704 0.084349 -1.864783
C 1.357611 1.819383 -0.051847
C 2.765370 -0.262267 0.064409
C 0.049672 -0.912266 -1.692288
C 2.303222 2.983948 -0.405720
C 3.369536 0.177929 1.285169
C 3.166968 -1.538429 -0.445221
C 4.319656 -0.620196 1.952203
C 4.125792 -2.320783 0.230779
C 4.713694 -1.876433 1.436323
C -2.249209 -0.886312 -0.849451
C -3.283356 -0.008997 -0.242789
C -4.500201 -0.505855 0.110382
C -5.533930 0.366235 0.720102
H 1.968063 -0.379654 -2.520586
H 0.822290 0.967487 -2.406710
H 1.253058 1.759391 1.046341
H 0.352815 2.044210 -0.446079
H 0.308007 -1.743012 -1.013182
H -0.277892 -1.332738 -2.662035
H 2.355359 3.105170 -1.509279
H 3.325162 2.778671 -0.025697
H 3.101475 1.144923 1.720238
H 2.734751 -1.934664 -1.368842
H 4.759161 -0.250233 2.886050
H 4.408045 -3.292786 -0.190761
H 5.454134 -2.490438 1.958788
H 2.297454 4.959795 0.067222
H -3.035213 1.046049 -0.084512
H -4.746664 -1.561523 -0.044109
H -7.374735 0.224984 1.410547


