%chk=000070849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070849

0 1
 O   -2.672900       1.238600      0.2197000    
 O    2.878200      0.8325000     -0.5179000    
 O   -3.446900     -0.4033000      -1.217200    
 O    2.601600      0.9126000       1.779200    
 N   9.7999997E-02  -2.445300      9.9799998E-02
 C  -0.1773000      0.3609000      0.1314000    
 C   -1.328500     -0.5789000     -0.1688000    
 C    1.137000     -0.3435000      0.4025000    
 C   -1.156500      -1.919400     -0.1709000    
 C    1.227100      -1.691600      0.3821000    
 C   -2.224100      -2.946100     -0.4346000    
 C    2.468400      -2.496000      0.6563000    
 C   -2.611500      7.1699999E-02 -0.4679000    
 C    2.282900      0.5383000      0.6641000    
 C   -3.873900       1.994300      3.1300001E-02
 C    4.021000       1.689700     -0.4278000    
 C   -3.794400       3.260500      0.8570000    
 C    4.571700       1.925000      -1.818200    
 H  -4.4000000E-02   1.043700     -0.7175000    
 H  -0.4114000      0.9631000       1.018500    
 H   0.1992000      -3.454000      8.9500003E-02
 H   -3.223100      -2.594600     -0.1628000    
 H   -2.051200      -3.849100      0.1624000    
 H   -2.221800      -3.232300      -1.491100    
 H    2.725300      -3.105200     -0.2169000    
 H    2.306900      -3.164000       1.509100    
 H    3.334600      -1.869400      0.8879000    
 H   -3.982000       2.249700      -1.028800    
 H   -4.735100       1.397000      0.3510000    
 H    3.726400       2.645100      2.0500001E-02
 H    4.785100       1.214800      0.1978000    
 H   -4.698300       3.863900      0.7360000    
 H   -3.668000       3.021100       1.918100    
 H   -2.926700       3.859500      0.5610000    
 H    5.448400       2.577900      -1.786400    
 H    4.853900      0.9762000      -2.286400    
 H    3.812600       2.383000      -2.460900    


%chk=000070849-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070849

0 1
O -2.227348 1.314512 -0.298005
O 2.486703 1.189483 -0.170841
O -3.643002 -0.527562 -0.057292
O 3.833451 -0.686009 0.120048
N 0.005067 -2.843322 0.341636
C 0.109766 -0.005854 -0.064554
C -1.198520 -0.794916 0.023608
C 1.363101 -0.876173 0.090310
C -1.213670 -2.163416 0.218689
C 1.273950 -2.241826 0.285098
C -2.442122 -3.041733 0.319779
C 2.409949 -3.227718 0.448810
C -2.464868 -0.063862 -0.104045
C 2.669878 -0.195280 0.025220
C -3.445215 2.159787 -0.438282
C 3.736040 1.997357 -0.251252
C -2.965046 3.596612 -0.622478
C 3.308390 3.447982 -0.454566
H 0.152499 0.543341 -1.024096
H 0.115580 0.796200 0.697251
H -0.028335 -3.852976 0.487119
H -3.090553 -2.721087 1.151867
H -2.161387 -4.101379 0.467785
H -3.065208 -2.956442 -0.585616
H 2.412974 -3.953346 -0.388176
H 2.291477 -3.799649 1.389857
H 3.375419 -2.705683 0.462874
H -4.029814 1.795584 -1.303132
H -4.067765 2.034845 0.466726
H 4.309864 1.851521 0.682190
H 4.348918 1.615007 -1.088035
H -3.833606 4.271717 -0.732549
H -2.373821 3.928443 0.248295
H -2.335564 3.688816 -1.524234
H 4.201197 4.096395 -0.522892
H 2.724671 3.559835 -1.384395
H 2.687650 3.797199 0.388378


