%chk=000088356.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088356

0 1
 O   -3.360500       1.323500      0.5837000    
 O    3.360200      -1.323400      0.5840000    
 O   -4.975500     -0.5584000     -0.4577000    
 O    4.975700      0.5583000     -0.4572000    
 N   -3.581600     -0.7126000     -0.4738000    
 N    3.582000      0.7125000     -0.4739000    
 C   -1.386500      0.1526000      8.7300003E-02
 C    1.386500     -0.1525000      8.6300001E-02
 C  -0.5613000       1.277000      8.7099999E-02
 C   0.8252000       1.124500      8.6400002E-02
 C  -0.8254000      -1.124500      8.7099999E-02
 C   0.5612000      -1.277100      8.6599998E-02
 C   -2.831800      0.3117000      8.7099999E-02
 C    2.831900     -0.3116000      8.6999997E-02
 H  -0.9796000       2.280400      8.7600000E-02
 H    1.435300       2.023100      0.1076000    
 H   -1.435500      -2.023100      0.1086000    
 H   0.9794000      -2.280400      8.7200001E-02
 H   -3.225800      -1.503500     -0.9982000    
 H    3.226300       1.503200     -0.9987000    
 H   -5.191800      -1.043100      0.3569000    
 H    5.191700       1.043300      0.3573000    


%chk=000088356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088356

0 1
O -3.559694 1.195567 0.341891
O 3.559673 -1.195556 0.342199
O -5.065523 -0.850961 -0.308329
O 5.065535 0.850901 -0.308427
N -3.638982 -0.991215 -0.281013
N 3.639012 0.991193 -0.280930
C -1.419767 0.021076 0.058741
C 1.419791 -0.021061 0.058833
C -0.685410 1.234498 0.075677
C 0.720840 1.215575 0.076719
C -0.720816 -1.215558 0.076804
C 0.685433 -1.234482 0.075842
C -2.907649 0.124887 0.054075
C 2.907673 -0.124873 0.054290
H -1.243217 2.175681 0.101772
H 1.261236 2.168055 0.126344
H -1.261216 -2.168034 0.126494
H 1.243240 -2.175662 0.102068
H -3.335508 -1.877933 -0.676971
H 3.335538 1.877885 -0.676944
H -5.160207 0.117556 -0.015328
H 5.160119 -0.117643 -0.015507


