%chk=000040913.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040913

0 1
 O    4.922200       1.224400      0.2588000    
 O   -5.830700      0.3712000     -4.2700000E-02
 C    2.756500      0.3600000     -0.5719000    
 C    2.023300     -0.9622000     -0.2615000    
 C   0.4957000     -0.8703000     -0.4257000    
 C  -0.1324000      0.3195000      0.3422000    
 C    4.158300      6.0600001E-02  1.3000000E-03
 C    2.079800       1.561100      0.1266000    
 C    2.521700      -1.352200       1.140900    
 C   0.5657000       1.623500     -9.2799999E-02
 C    3.901900     -0.7106000       1.295100    
 C  -0.2076000      -2.169000     -2.3300000E-02
 C    2.845700      0.6226000      -2.084500    
 C   -1.654200      0.3356000      0.2060000    
 C   -1.662500      -2.129100     -0.4784000    
 C   -2.362100     -0.8345000     -0.1455000    
 C   -2.394600       1.490300      0.5173000    
 C   -3.764600     -0.8043000     -0.2388000    
 C   -3.788400       1.504300      0.4307000    
 C   -4.473600      0.3591000      4.6300001E-02
 H    2.385900      -1.736500     -0.9547000    
 H   0.3046000     -0.7172000      -1.498800    
 H   5.3800002E-02  0.1859000       1.416800    
 H    4.732200     -0.5780000     -0.6825000    
 H    2.528900       2.500900     -0.2190000    
 H    2.260100       1.525200       1.208500    
 H    2.578600      -2.441200       1.246500    
 H    1.863300     -0.9880000       1.935700    
 H   0.1931000       2.477300      0.4834000    
 H   0.3408000       1.840800      -1.144000    
 H    3.926900     -5.3100001E-02   2.171900    
 H    4.676400      -1.469400       1.452300    
 H  -0.1649000      -2.304500       1.064800    
 H   0.2865000      -3.037200     -0.4750000    
 H    3.427900       1.526600      -2.293800    
 H    3.333700     -0.2102000      -2.603300    
 H    1.858300      0.7518000      -2.537900    
 H   -2.195800      -2.970100     -1.8800000E-02
 H   -1.704800      -2.267100      -1.566400    
 H    5.039500       1.691900     -0.5854000    
 H   -1.902500       2.401600      0.8438000    
 H   -4.300100      -1.704500     -0.5340000    
 H   -4.331200       2.414700      0.6705000    
 H   -6.137000     -0.5090000     -0.3209000    


%chk=000040913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040913

0 1
O 5.000068 1.270670 0.298134
O -5.917964 0.444755 0.059492
C 2.776422 0.358730 -0.596613
C 2.034724 -0.975989 -0.250214
C 0.499640 -0.897372 -0.440953
C -0.128388 0.296419 0.327444
C 4.182874 0.078256 0.026274
C 2.083218 1.561524 0.107822
C 2.534659 -1.354798 1.184612
C 0.554689 1.613937 -0.126849
C 3.913935 -0.645048 1.362902
C -0.222272 -2.210550 -0.070151
C 2.882369 0.606548 -2.118413
C -1.661400 0.305802 0.209515
C -1.684965 -2.159570 -0.555118
C -2.388785 -0.857434 -0.177414
C -2.402006 1.472477 0.543517
C -3.805012 -0.817865 -0.230509
C -3.807029 1.516185 0.492162
C -4.511644 0.358216 0.097029
H 2.408480 -1.755646 -0.950659
H 0.314331 -0.719110 -1.524777
H 0.113686 0.166777 1.407282
H 4.732660 -0.594016 -0.672681
H 2.549443 2.505156 -0.235165
H 2.274084 1.511841 1.197481
H 2.618303 -2.450531 1.294052
H 1.822224 -1.014622 1.958260
H 0.148840 2.478251 0.431272
H 0.320440 1.794342 -1.195450
H 3.882336 0.113133 2.165567
H 4.727355 -1.346915 1.613758
H -0.190848 -2.354989 1.028278
H 0.294824 -3.077454 -0.527287
H 3.526374 1.483357 -2.334931
H 3.317835 -0.269801 -2.636286
H 1.898731 0.811866 -2.576719
H -2.257339 -3.019937 -0.156959
H -1.698207 -2.265320 -1.660724
H 5.218528 1.711758 -0.561830
H -1.870391 2.376856 0.858360
H -4.353098 -1.723840 -0.528148
H -4.364927 2.420293 0.752539
H -6.312496 -0.415643 -0.228102


