%chk=000012242.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012242

0 1
 O    2.956700       1.081500     -0.1124000    
 C    1.993100      2.4800001E-02 -2.2000000E-03
 C   0.5943000      0.6642000     -0.1184000    
 C  -0.5853000     -0.3045000      5.1000002E-03
 C   -1.920300      0.4433000     -5.2200001E-02
 C    2.274500     -0.9760000      -1.125000    
 C    2.219200     -0.6303000       1.360900    
 C   -3.102400     -0.5221000      3.3700000E-02
 C   -4.429700      0.2189000      1.0500000E-02
 H   0.5268000       1.198500      -1.076000    
 H   0.5023000       1.446300      0.6479000    
 H  -0.5290000     -0.8537000      0.9510000    
 H  -0.5499000      -1.041400     -0.8048000    
 H   -1.982600       1.015800     -0.9857000    
 H   -1.972500       1.163800      0.7732000    
 H    3.313700      -1.323600      -1.089000    
 H    1.622500      -1.852800      -1.068000    
 H    2.141000     -0.5051000      -2.105500    
 H    2.028200      8.2400002E-02   2.171400    
 H    1.580800      -1.506200       1.509900    
 H    3.261400     -0.9518000       1.473400    
 H   -3.068600      -1.227800     -0.8044000    
 H   -3.036600      -1.110400      0.9563000    
 H    3.845100      0.6903000     -5.4600000E-02
 H   -5.261000     -0.4904000      7.1800001E-02
 H   -4.508900      0.9089000      0.8567000    
 H   -4.541500      0.7943000     -0.9140000    


%chk=000012242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012242

0 1
O 2.935833 1.177669 -0.136136
C 2.025042 0.001074 0.008029
C 0.621858 0.647172 -0.079954
C -0.579139 -0.318156 0.026621
C -1.932709 0.425015 -0.052631
C 2.295094 -0.984119 -1.151015
C 2.281570 -0.663517 1.379289
C -3.154120 -0.516541 0.050206
C -4.501066 0.234691 -0.025316
H 0.570397 1.199291 -1.039301
H 0.556976 1.409225 0.721892
H -0.536060 -0.878986 0.982400
H -0.537158 -1.072322 -0.785351
H -1.986041 0.990867 -1.006248
H -1.984278 1.180838 0.758784
H 3.337271 -1.357221 -1.112862
H 1.627633 -1.863396 -1.103399
H 2.144340 -0.479737 -2.121756
H 2.124839 0.068426 2.191116
H 1.609808 -1.524553 1.546533
H 3.322154 -1.037013 1.445634
H -3.102937 -1.269753 -0.762561
H -3.098130 -1.083044 1.002433
H 3.872596 0.852993 -0.091270
H -5.358458 -0.458807 0.053839
H -4.587909 0.974653 0.792753
H -4.596105 0.782150 -0.982130


