%chk=000044307.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044307

0 1
 O   -2.655400      -2.190600     -0.3695000    
 C   0.9763000      0.3757000      6.1999999E-02
 C   8.3899997E-02 -0.6767000      0.3825000    
 C   -1.297400     -0.4375000      0.4900000    
 C   0.4024000       1.657200     -0.1393000    
 C   -1.842000      0.8374000      0.2866000    
 C  -0.9801000       1.902000     -3.2900002E-02
 C    2.385900      9.4899997E-02 -4.0100001E-02
 C    2.846600      -1.228900      0.1829000    
 C   0.5753000      -1.967500      0.5951000    
 C   -2.225500      -1.574300      0.8321000    
 C    1.935700      -2.239700      0.4970000    
 C    1.206800       2.877400     -0.4846000    
 C   -3.223100       1.074900      0.3943000    
 C   -1.520500       3.183300     -0.2381000    
 C    3.371000       1.065000     -0.3541000    
 C    4.215000      -1.536300      9.0999998E-02
 C   -3.744300       2.352000      0.1878000    
 C   -2.893400       3.405800     -0.1283000    
 C    4.729000      0.7463000     -0.4424000    
 C    5.151000     -0.5550000     -0.2197000    
 C   -3.538500      -3.276900     -0.1164000    
 C   -3.958500      -3.888600      -1.435900    
 H  -4.6900000E-02  -2.829400      0.8081000    
 H   -3.086100      -1.246400       1.424100    
 H   -1.769600      -2.307100       1.505500    
 H    2.275000      -3.260700      0.6629000    
 H    1.889900       3.101300      0.3426000    
 H    1.683300       2.727800      -1.460000    
 H   0.7374000       3.843000     -0.6299000    
 H   -3.952800      0.3012000      0.6056000    
 H  -0.9837000       4.085400     -0.4880000    
 H    3.236100       2.106300     -0.5562000    
 H    4.566500      -2.552200      0.2623000    
 H   -4.814000       2.522300      0.2666000    
 H   -3.299800       4.400000     -0.2909000    
 H    5.455200       1.516900     -0.6857000    
 H    6.204700     -0.8078000     -0.2872000    
 H   -3.031300      -4.031500      0.4951000    
 H   -4.422800      -2.917400      0.4216000    
 H   -4.639900      -4.729300      -1.278100    
 H   -4.456400      -3.143300      -2.065100    
 H   -3.084200      -4.241900      -1.992600    


%chk=000044307-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044307

0 1
O -2.583827 -2.364167 -0.358490
C 0.919878 0.479986 0.083479
C -0.043893 -0.594306 0.329481
C -1.439474 -0.333728 0.396385
C 0.451036 1.826796 0.102836
C -1.922233 0.989868 0.142439
C -0.965535 2.082150 0.050896
C 2.334303 0.102741 -0.137875
C 2.769975 -1.237359 0.172765
C 0.450116 -1.940723 0.563933
C -2.396267 -1.442437 0.783455
C 1.793470 -2.234190 0.555571
C 1.374560 3.026408 0.282141
C -3.324678 1.290709 0.007677
C -1.474819 3.419309 -0.119113
C 3.300444 0.967609 -0.741552
C 4.137559 -1.608912 0.011974
C -3.776464 2.594820 -0.178807
C -2.839840 3.675205 -0.232910
C 4.639991 0.579827 -0.917469
C 5.076842 -0.707185 -0.507005
C -3.465725 -3.490040 -0.007244
C -3.582768 -4.381823 -1.242784
H -0.274543 -2.740840 0.729843
H -3.378893 -1.036739 1.094901
H -1.997226 -2.013292 1.651102
H 2.143787 -3.252043 0.764431
H 2.338293 2.730653 0.722560
H 1.584555 3.565255 -0.663224
H 0.910466 3.753732 0.970868
H -4.051576 0.473678 0.013995
H -0.773405 4.254213 -0.200007
H 2.992818 1.938790 -1.130585
H 4.437797 -2.630300 0.275258
H -4.847179 2.795099 -0.295993
H -3.197141 4.699953 -0.382858
H 5.345074 1.272737 -1.389867
H 6.124452 -1.002216 -0.630210
H -3.034080 -4.050493 0.853754
H -4.463121 -3.105644 0.305526
H -4.234702 -5.250187 -1.035696
H -4.009161 -3.813897 -2.087389
H -2.588067 -4.751915 -1.545489


