%chk=000076731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076731

0 1
 O    2.074300     -0.7656000     -6.6999998E-03
 O    2.308900       1.563400      1.2800000E-02
 C   -2.048000     -0.2794000     -2.7000001E-03
 C   -3.528800     -0.1050000     -1.5000000E-03
 C   -1.355100     -0.3497000      -1.211200    
 C   -1.355700     -0.3724000       1.204700    
 C   0.7226000     -0.6060000     -4.9000001E-03
 C   -3.940700       1.365000      1.2300000E-02
 C   3.0099999E-02 -0.5130000      -1.212300    
 C   2.9600000E-02 -0.5357000       1.203700    
 C    2.794700      0.4400000      4.3000001E-03
 C    4.268000      0.1583000      1.5000000E-03
 H   -3.964500     -0.5965000     -0.8805000    
 H   -3.965000     -0.6131000      0.8676000    
 H   -1.882600     -0.2768000      -2.158600    
 H   -1.883800     -0.3173000       2.153000    
 H   -3.558200       1.875100      0.9029000    
 H   -5.031800       1.451500      1.2800000E-02
 H   -3.557700       1.891900     -0.8682000    
 H   0.5638000     -0.5673000      -2.157400    
 H   0.5629000     -0.6077000       2.147700    
 H    4.535600     -0.4155000      0.8921000    
 H    4.818200       1.103400      1.6300000E-02
 H    4.537100     -0.3890000     -0.9052000    


%chk=000076731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076731

0 1
O 2.137996 -0.645848 -0.005072
O 2.521740 1.671704 0.017435
C -2.112722 -0.302148 -0.003276
C -3.627975 -0.156301 -0.002518
C -1.385767 -0.339078 -1.221379
C -1.386459 -0.359738 1.214446
C 0.710801 -0.475064 -0.003935
C -4.074084 1.331223 0.012594
C 0.023389 -0.424920 -1.231313
C 0.022687 -0.445701 1.223732
C 2.965940 0.509984 0.006018
C 4.415702 0.079475 0.000612
H -4.054473 -0.650458 -0.896256
H -4.055452 -0.668664 0.880447
H -1.928555 -0.303184 -2.173775
H -1.929795 -0.340008 2.167003
H -3.689225 1.848753 0.909807
H -5.176602 1.412237 0.012556
H -3.687760 1.867307 -0.873017
H 0.584122 -0.457859 -2.170777
H 0.582877 -0.494500 2.162824
H 4.624349 -0.556296 0.878262
H 5.067177 0.964542 0.015433
H 4.625990 -0.526858 -0.897353


