%chk=000147931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147931

0 1
 O  -0.3231000      9.9100001E-02  -3.034700    
 O    1.361200      -3.395600      -2.237600    
 O    1.446700       1.232000      -2.399500    
 O    3.101300      -2.470600      -1.270500    
 N    1.417400       2.809800     -0.4766000    
 N    2.961200      -1.300900      0.9203000    
 N   0.2391000      0.9211000      -2.273900    
 N    1.881800      -2.758600      -1.292200    
 N   -4.823400       1.949600       1.070900    
 N   -3.392900      -2.234300       1.834700    
 N   -4.576700      0.5168000     -0.7587000    
 N   -3.040100      -3.287600     -0.2213000    
 C    3.878500       1.503400      0.5593000    
 C    3.656900       3.017700      0.4803000    
 C    3.309300      0.9283000       1.860600    
 C    2.184400       3.403800      0.5915000    
 C    3.568800     -0.5689000       2.005500    
 C   8.3800003E-02   2.450100     -0.3592000    
 C    1.615900      -1.630800      0.8723000    
 C  -0.5203000       1.522600      -1.231300    
 C    1.059500      -2.347900     -0.2057000    
 C  -0.7089000       3.017800      0.6571000    
 C   0.7614000      -1.246900       1.924100    
 C   -1.864400       1.177000      -1.091700    
 C  -0.2979000      -2.668100     -0.2300000    
 C   -2.630900       1.751900     -7.8000002E-02
 C   -1.125700      -2.277400      0.8226000    
 C   -2.053100       2.672400      0.7964000    
 C  -0.5961000      -1.566800       1.899600    
 C   -4.032400       1.392100      6.8000004E-02
 C   -2.541100      -2.610800      0.7979000    
 H    4.955800       1.303800      0.5098000    
 H    3.428700       1.013400     -0.3107000    
 H    4.219400       3.513600       1.280400    
 H    4.066500       3.383200     -0.4695000    
 H    3.767200       1.444000       2.713600    
 H    2.234000       1.110400       1.921200    
 H    1.810500       3.135100       1.584300    
 H    2.101200       4.494700      0.5169000    
 H    4.651600     -0.7405000       1.965300    
 H    3.254200     -0.9404000       2.987100    
 H    1.897400       2.621200      -1.347200    
 H    3.562700      -1.544100      0.1453000    
 H  -0.3061000       3.755400       1.346500    
 H    1.115500     -0.6998000       2.792300    
 H   -2.320600      0.4587000      -1.768300    
 H  -0.7177000      -3.220400      -1.066900    
 H   -2.604200       3.151900       1.597700    
 H   -1.194600      -1.239700       2.742600    
 H   -4.486700       2.624200       1.746400    
 H   -5.799000       1.684000       1.158000    
 H   -3.094900      -1.712400       2.649300    
 H   -4.377800      -2.476700       1.799300    
 H   -5.561000      0.3945000     -0.4959000    
 H   -4.043400      -3.424600     -5.6499999E-02


%chk=000147931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147931

0 1
O -1.257201 0.322019 -2.885931
O 2.335964 -4.429011 -1.268302
O 0.781186 1.328352 -2.774714
O 3.742604 -3.082738 -0.093656
N 1.364067 2.894691 -0.756777
N 2.783217 -1.252277 1.490669
N -0.416728 1.090275 -2.283882
N 2.523599 -3.460612 -0.439201
N -4.564698 2.489396 1.940562
N -3.515259 -2.323463 -0.019170
N -4.207010 0.243755 1.133976
N -2.388395 -4.264737 -0.924054
C 3.692021 1.430811 0.488126
C 3.756015 2.888853 -0.035567
C 2.941220 1.266654 1.829246
C 2.398942 3.638015 -0.023711
C 3.067063 -0.162759 2.429310
C 0.088961 2.637092 -0.325458
C 1.538601 -1.673592 1.079187
C -0.797364 1.724140 -1.023583
C 1.377587 -2.762361 0.132369
C -0.449877 3.242033 0.864151
C 0.327086 -1.079318 1.562454
C -2.064097 1.378491 -0.502563
C 0.097935 -3.197973 -0.279638
C -2.536242 1.946704 0.691260
C -1.071562 -2.589507 0.203866
C -1.713991 2.908653 1.351579
C -0.933531 -1.520943 1.138992
C -3.840367 1.507506 1.266485
C -2.394573 -3.105544 -0.283561
H 4.730008 1.055780 0.594310
H 3.209625 0.783663 -0.268195
H 4.456202 3.485025 0.583365
H 4.170302 2.886658 -1.063209
H 3.336317 1.979301 2.583112
H 1.871460 1.510447 1.686428
H 2.080274 3.779066 1.022322
H 2.531723 4.647166 -0.464230
H 4.106045 -0.312652 2.776653
H 2.416087 -0.247022 3.322565
H 1.612024 2.415684 -1.640609
H 3.558900 -1.777035 1.049672
H 0.145478 3.982959 1.402908
H 0.388806 -0.258852 2.283254
H -2.669051 0.649636 -1.048682
H 0.000844 -4.027684 -0.984793
H -2.055350 3.367307 2.286994
H -1.824241 -1.033889 1.551749
H -4.328628 3.474374 1.839621
H -5.427442 2.254968 2.428556
H -3.523654 -1.371529 0.398137
H -4.414311 -2.669535 -0.354027
H -5.146029 0.035932 1.529471
H -3.331664 -4.552573 -1.256634


