%chk=000178872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178872

0 1
 O    3.356100       2.525100      0.4553000    
 O    4.060600      -3.226000      9.9799998E-02
 O   -4.520600      -2.155200     -0.2322000    
 O    4.965500       1.265000     -0.5831000    
 O    5.427700      -1.386000      6.4199999E-02
 N   0.8360000     -0.7633000     -0.1151000    
 N    1.843200      -1.650100     -4.3000001E-02
 C    1.468800      0.4126000     -0.1458000    
 C    2.869100      0.2776000     -9.3800001E-02
 C   0.7357000       1.652500     -0.2242000    
 C  -0.5040000      -1.111800     -0.1439000    
 C    3.081300      -1.077800     -2.7000001E-02
 C  -0.9374000      -2.272300      0.4974000    
 C   -1.420400     -0.3018000     -0.8149000    
 C  -0.1725000       1.991200      0.7788000    
 C   0.9361000       2.513400      -1.303300    
 C    3.818300       1.352200     -0.1094000    
 C    4.274400      -1.860200      4.6900000E-02
 C   -2.287300      -2.622700      0.4679000    
 C   -2.770000     -0.6522000     -0.8443000    
 C   -3.203600      -1.812500     -0.2028000    
 C  -0.8802000       3.190800      0.7026000    
 C   0.2285000       3.713000      -1.379400    
 C  -0.6797000       4.051600     -0.3765000    
 C    4.254400       3.640200      0.4732000    
 C    5.214900      -4.070200      0.1748000    
 C   -5.450600      -1.158300      9.9999998E-03
 C    3.565000       4.818300       1.127800    
 C    4.766500      -5.515400      0.2234000    
 C   -5.259400     -0.2676000       1.066500    
 C   -6.579000      -1.044800     -0.8022000    
 C   -6.196600      0.7361000       1.310900    
 C   -7.516100     -4.1000001E-02 -0.5576000    
 C   -7.324900      0.8494000      0.4990000    
 H  -0.2458000      -2.917400       1.033600    
 H   -1.135000      0.5522000      -1.417000    
 H  -0.3324000       1.345300       1.639100    
 H    1.633100       2.264700      -2.100200    
 H   -2.619700      -3.526800      0.9707000    
 H   -3.455300     -2.6699999E-02  -1.410700    
 H   -1.584800       3.456400       1.485400    
 H   0.3837000       4.382700      -2.220100    
 H   -1.230300       4.986000     -0.4354000    
 H    4.534100       3.897400     -0.5542000    
 H    5.152900       3.373400       1.040200    
 H    5.784300      -3.827100       1.078500    
 H    5.843200      -3.905400     -0.7073000    
 H    2.656800       5.087300      0.5786000    
 H    3.256000       4.566000       2.147600    
 H    4.226500       5.688300       1.163400    
 H    5.625500      -6.189600      0.2813000    
 H    4.178800      -5.766400     -0.6658000    
 H    4.120800      -5.689400       1.090600    
 H   -4.400800     -0.3464000       1.728200    
 H   -6.732800      -1.735600      -1.626600    
 H   -6.050300       1.426600       2.136400    
 H   -8.394800      4.7300000E-02  -1.189800    
 H   -8.055200       1.630200      0.6900000    


%chk=000178872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178872

0 1
O 4.589037 1.715689 0.706569
O 4.054881 -2.398397 0.826729
O -4.691587 -2.251164 0.081034
O 3.497248 2.931578 -0.961042
O 5.048658 -0.898221 -0.658946
N 0.603600 -0.255265 0.105776
N 1.595481 -1.231255 0.203582
C 1.127833 1.034987 -0.061840
C 2.532919 0.867875 -0.086423
C 0.304751 2.264585 -0.021810
C -0.764558 -0.702639 0.099169
C 2.765581 -0.537742 0.094833
C -1.121836 -1.802281 0.915375
C -1.723334 -0.104196 -0.751228
C -0.661960 2.441649 1.008003
C 0.482111 3.291791 -0.986461
C 3.549816 1.938547 -0.190582
C 4.064582 -1.256456 0.033011
C -2.445287 -2.278732 0.906941
C -3.050461 -0.576089 -0.758173
C -3.409706 -1.657839 0.080852
C -1.441887 3.614523 1.061680
C -0.305980 4.462099 -0.930783
C -1.271522 4.627661 0.088015
C 5.779215 2.616044 0.587158
C 5.292400 -3.236706 0.763611
C -5.858894 -1.492988 -0.205775
C 6.693257 2.157102 -0.552882
C 5.071611 -4.411047 1.710502
C -6.042636 -0.169347 0.257514
C -6.884462 -2.176394 -0.893782
C -7.274299 0.476232 0.008414
C -8.111640 -1.519024 -1.130909
C -8.310749 -0.190816 -0.685962
H -0.357165 -2.277262 1.535236
H -1.437976 0.714590 -1.416893
H -0.789929 1.667358 1.772266
H 1.245655 3.175506 -1.759851
H -2.745997 -3.127185 1.527813
H -3.788020 -0.122455 -1.426199
H -2.175277 3.741805 1.865485
H -0.158850 5.245918 -1.681564
H -1.879331 5.538412 0.129500
H 6.263313 2.521978 1.572335
H 5.422664 3.650120 0.434094
H 6.152941 -2.608240 1.056960
H 5.440918 -3.556101 -0.284137
H 6.932868 1.085766 -0.451595
H 6.210248 2.313019 -1.531399
H 7.633340 2.739693 -0.529901
H 5.957919 -5.071593 1.701023
H 4.192154 -5.002610 1.404381
H 4.910678 -4.058414 2.743461
H -5.247843 0.340910 0.810647
H -6.708470 -3.203770 -1.226057
H -7.424518 1.500487 0.367129
H -8.910280 -2.045231 -1.664971
H -9.262922 0.316335 -0.873439


