%chk=000138431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138431

0 1
 O    4.142100       2.213700      -1.360200    
 O   -4.136700       2.207300       1.376900    
 O  -0.4809000      -1.352500       2.551300    
 O   0.4748000      -1.336700      -2.568000    
 O    2.264800       3.192300     -0.7795000    
 O   -2.264000       3.191400      0.7910000    
 O  -0.9613000      0.7038000       1.951200    
 O   0.9543000      0.7183000      -1.963000    
 O    5.091600      -2.282700      4.6999999E-03
 O   -5.084300      -2.286100      6.9999998E-04
 O    3.648100      -3.395800       1.228000    
 O   -3.644400      -3.392200      -1.233100    
 N    3.034500       2.203100     -0.7734000    
 N   -3.031900       2.200800      0.7850000    
 N  -0.1930000     -0.2866000       1.957800    
 N   0.1877000     -0.2735000      -1.969500    
 N    3.997000      -2.359000      0.6133000    
 N   -3.992300      -2.358200     -0.6131000    
 C   0.4964000       2.149800      0.5861000    
 C  -0.5000000       2.156900     -0.5863000    
 C    1.414900      0.9658000      0.5922000    
 C   -1.422800      0.9627000     -0.5923000    
 C    2.637300       1.027800     -7.6800004E-02
 C   -2.635700       1.028700      8.2599998E-02
 C    1.048300     -0.1978000       1.268400    
 C   -1.050600     -0.1893000      -1.274100    
 C    3.493000     -7.3700003E-02 -6.9799997E-02
 C   -3.489300     -7.4400000E-02  7.5599998E-02
 C    1.904000      -1.299300       1.275500    
 C   -1.904200      -1.292400      -1.281100    
 C    3.126300      -1.237300      0.6065000    
 C   -3.123700      -1.234900     -0.6063000    
 H   2.1400001E-02   2.326600       1.552100    
 H   0.9989000       3.113700      0.6720000    
 H  -2.7600000E-02   2.337200      -1.552700    
 H   -1.004500       3.120100     -0.6653000    
 H    4.446500     -2.9600000E-02 -0.5909000    
 H   -4.440500     -3.3900000E-02  0.6012000    
 H    1.621200      -2.208700       1.800500    
 H   -1.622200      -2.199500      -1.810500    


%chk=000138431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138431

0 1
O 4.265341 3.008485 -0.510264
O -4.268110 3.003592 0.526232
O 0.639849 -1.758350 3.066298
O -0.637640 -1.739769 -3.076141
O 2.090252 3.009075 -1.178977
O -2.092668 3.002533 1.193742
O -0.688574 -0.808167 1.480737
O 0.688879 -0.800866 -1.482236
O 6.295280 -1.260930 0.373576
O -6.295044 -1.261902 -0.382133
O 5.125729 -2.822922 1.563145
O -5.123949 -2.817170 -1.578967
N 3.091706 2.482421 -0.561788
N -3.093875 2.478499 0.573955
N 0.464567 -1.040706 2.013717
N -0.463594 -1.029806 -2.018159
N 5.225302 -1.702625 0.936529
N -5.225005 -1.699241 -0.948364
C 0.428668 1.686877 0.666800
C -0.429664 1.690372 -0.657385
C 1.646106 0.775996 0.675589
C -1.646846 0.779093 -0.671239
C 2.906318 1.166432 0.125357
C -2.907627 1.166233 -0.120002
C 1.678945 -0.479704 1.355800
C -1.678703 -0.473032 -1.357992
C 4.074783 0.384664 0.199000
C -4.075719 0.384434 -0.198655
C 2.821687 -1.290824 1.466182
C -2.821030 -1.284019 -1.473567
C 4.006606 -0.849701 0.859101
C -4.006603 -0.846444 -0.865190
H -0.225641 1.454971 1.517031
H 0.770474 2.725793 0.805586
H 0.224718 1.463112 -1.508857
H -0.771704 2.729925 -0.790694
H 5.013901 0.736284 -0.236084
H -5.015309 0.733481 0.237480
H 2.790297 -2.239972 2.007485
H -2.788900 -2.230222 -2.019949


