%chk=000097051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097051

0 1
 O   -2.964400      -2.447800      0.4505000    
 O   0.3865000     -0.6773000       1.142900    
 O   -2.070100      -1.441700      -1.389100    
 O    2.892700     -0.3214000      -1.313900    
 N   -1.270600      0.6306000      0.1943000    
 N    2.314200      0.8687000      0.5980000    
 N    5.465700     -0.5886000     -0.3928000    
 C   -2.397500     -0.1760000      0.6445000    
 C   -3.617700      0.7142000      0.4387000    
 C   -3.214300       1.603300     -0.7350000    
 C   -1.726700       1.826600     -0.5093000    
 C   3.8600001E-02  0.3443000      0.5484000    
 C   -2.444400      -1.395000     -0.2268000    
 C    1.061000       1.377000      0.1460000    
 C    3.147100      4.9400002E-02 -0.1701000    
 C    4.399700     -0.3664000      0.5737000    
 H   -2.246100     -0.4685000       1.689000    
 H   -3.775800       1.337700       1.327100    
 H   -4.539400      0.1591000      0.2397000    
 H   -3.376600       1.071200      -1.679800    
 H   -3.778300       2.539400     -0.7734000    
 H   -1.174700       1.962600      -1.443200    
 H   -1.548000       2.689800      0.1411000    
 H   0.8664000       2.327100      0.6494000    
 H    1.073600       1.503500     -0.9396000    
 H    2.598100       1.099200       1.545900    
 H   -3.005000      -3.256000     -0.1038000    
 H    4.189800      -1.285100       1.129400    
 H    4.705600      0.4083000       1.283200    
 H    5.632300      0.2630000     -0.9274000    
 H    5.182700      -1.301300      -1.064100    


%chk=000097051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097051

0 1
O -3.699666 -2.099186 1.205236
O 0.060990 -0.929800 1.282614
O -2.638818 -1.812136 -0.845074
O 3.654149 1.384913 -1.134874
N -1.365411 0.543318 0.201325
N 2.284483 0.022566 0.148319
N 6.020899 0.303952 0.098595
C -2.555346 -0.010829 0.875134
C -3.655733 1.046440 0.565505
C -3.244390 1.590223 -0.827259
C -1.696952 1.621813 -0.769464
C -0.119895 0.020962 0.451195
C -2.922794 -1.382358 0.291124
C 1.051213 0.643785 -0.318787
C 3.518069 0.428430 -0.306417
C 4.730028 -0.381972 0.226109
H -2.374219 -0.142993 1.953787
H -3.606557 1.843709 1.328565
H -4.668935 0.614320 0.584928
H -3.574761 0.896507 -1.619538
H -3.669831 2.585060 -1.037036
H -1.240708 1.422780 -1.755080
H -1.323492 2.598548 -0.403237
H 1.087077 1.741726 -0.171197
H 0.917586 0.487014 -1.409401
H 2.156833 -0.735004 0.831423
H -3.944244 -2.982295 0.816293
H 4.771892 -1.331035 -0.344481
H 4.564385 -0.661097 1.283958
H 6.105319 1.103636 0.737536
H 6.183229 0.618902 -0.866303


