%chk=000157076.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157076

0 1
 O   -2.350700      -2.450600     -9.4700001E-02
 O   -4.539400      -1.186500     -0.4097000    
 O    4.811100       2.069900     -0.6329000    
 O    6.036200     -0.2216000      0.3494000    
 O   -5.855300       1.176500     -5.2700002E-02
 N  -0.3054000      -1.335600     -0.1423000    
 C   0.3863000     -4.6200000E-02 -0.3386000    
 C  -0.2286000       1.005000      0.5955000    
 C    1.896900     -0.1136000     -0.1678000    
 C   0.4785000      -2.560500     -0.2697000    
 C    1.712100      -2.501900      0.6187000    
 C    2.529100      -1.282000      0.2945000    
 C   -1.718200       1.050600      0.4001000    
 C   -1.701300      -1.407500     -6.9200002E-02
 C   -2.422900     -0.1168000      7.6099999E-02
 C    2.687900       1.002000     -0.4888000    
 C    3.918800      -1.300700      0.4784000    
 C   -2.421900       2.247300      0.5867000    
 C   -3.814200     -7.9700001E-02 -7.6300003E-02
 C    4.072400      0.9694000     -0.3188000    
 C    4.686600     -0.1792000      0.1713000    
 C   -4.501800       1.121600      9.6900001E-02
 C   -3.807600       2.282700      0.4302000    
 C   -4.740300      -1.432600      -1.799100    
 C    5.301700       2.161600      -1.968900    
 C    6.535600      0.1881000       1.621100    
 C   -6.645500      0.9405000       1.110600    
 H   0.1872000      0.2272000      -1.385000    
 H   0.1996000       1.994200      0.3955000    
 H  -2.1900000E-02  0.7627000       1.646200    
 H   0.7540000      -2.661400      -1.326900    
 H  -0.1289000      -3.432200     -4.6000001E-03
 H    2.304100      -3.411700      0.4668000    
 H    1.421600      -2.457300       1.675400    
 H    2.221000       1.906400     -0.8728000    
 H    4.404500      -2.198400      0.8545000    
 H   -1.894600       3.159600      0.8536000    
 H   -4.339100       3.220000      0.5717000    
 H   -5.393100     -0.6675000      -2.230600    
 H   -5.226300      -2.406200      -1.907300    
 H   -3.787700      -1.455900      -2.337900    
 H    4.470900       2.191200      -2.681100    
 H    5.961800       1.318500      -2.195900    
 H    5.874300       3.088600      -2.060600    
 H    6.145800     -0.4597000       2.412700    
 H    6.268600       1.230300       1.822300    
 H    7.625600      0.1032000       1.604500    
 H   -7.699600       1.005500      0.8276000    
 H   -6.440500       1.698300       1.873500    
 H   -6.452400     -5.9200000E-02   1.512400    


%chk=000157076-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157076

0 1
O -2.444873 -2.405478 0.086591
O -4.796686 -0.708209 -0.690606
O 4.773222 2.044779 -0.844949
O 6.010048 -0.351219 0.315206
O -5.959209 1.617908 0.250260
N -0.447271 -1.249644 -0.204353
C 0.279250 0.042588 -0.325388
C -0.264585 0.984287 0.779491
C 1.793767 -0.117171 -0.210177
C 0.302859 -2.517568 -0.309583
C 1.518067 -2.492933 0.636629
C 2.395217 -1.294352 0.310720
C -1.768382 1.137460 0.643634
C -1.829718 -1.289421 -0.015861
C -2.526037 0.034719 0.134681
C 2.614009 0.968484 -0.598999
C 3.799172 -1.334813 0.478039
C -2.411993 2.329035 1.025035
C -3.937017 0.187191 -0.057541
C 4.012572 0.918969 -0.448057
C 4.611905 -0.236785 0.134034
C -4.583444 1.380227 0.408916
C -3.816627 2.435087 0.938323
C -4.343095 -1.536983 -1.821187
C 5.727819 1.781686 -1.948972
C 6.593284 0.638293 1.252973
C -6.892176 0.615552 0.809957
H 0.040768 0.502747 -1.310239
H 0.228131 1.970007 0.706999
H 0.007320 0.554743 1.765352
H 0.646848 -2.667140 -1.353293
H -0.404944 -3.323359 -0.056802
H 2.094374 -3.430411 0.529756
H 1.156108 -2.450633 1.683100
H 2.181474 1.872838 -1.042719
H 4.287217 -2.226401 0.886982
H -1.821580 3.169314 1.406508
H -4.344422 3.344083 1.242847
H -3.557572 -1.012396 -2.397684
H -5.240517 -1.674119 -2.445594
H -3.954291 -2.496286 -1.448128
H 5.176235 1.507236 -2.868067
H 6.431823 0.974020 -1.679030
H 6.265452 2.729567 -2.103025
H 6.192990 0.474837 2.271431
H 6.375112 1.670610 0.925404
H 7.677249 0.448284 1.241241
H -7.895803 1.012961 0.594546
H -6.748119 0.530349 1.904610
H -6.748927 -0.366139 0.330988


