%chk=000053422.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053422

0 1
 O    1.860200      0.5783000      -1.460100    
 O  -0.2830000     -0.4791000       1.241700    
 O   0.4067000       1.738500      0.8083000    
 O    1.300200       1.964100      -1.458100    
 O   -4.594500      0.1853000      9.2200004E-02
 O   -5.744400       1.545700      -1.228500    
 O   -6.896300     -4.9999999E-03 -2.1000000E-02
 C    1.680900     -5.7200000E-02 -0.1828000    
 C    1.568300      -1.621000     -0.2742000    
 C    3.003400      0.2823000      0.6005000    
 C    4.244100     -0.5572000      6.3699998E-02
 C   0.3048000      0.4274000      0.3178000    
 C   0.1318000      -2.061200     -0.6392000    
 C    2.704400      -2.217300      -1.087700    
 C    3.977200      -2.027100     -0.2771000    
 C    3.475600       1.762900      0.4935000    
 C  -0.7688000      -1.664600      0.5733000    
 C    1.136700       2.526200     -0.1355000    
 C    2.451200       2.877800      0.5363000    
 C    5.438800     -0.4958000       1.028700    
 C  -1.7600000E-02  -3.552700     -0.9439000    
 C   -2.234000      -1.468200      0.1917000    
 C   0.3105000       3.801500     -0.3283000    
 C   -3.080200      -1.120000       1.409800    
 C   -4.534200     -0.8826000       1.027600    
 C   -5.841700      0.5189000     -0.3486000    
 H    1.708300      -2.005400      0.7509000    
 H    2.839000      3.4400001E-02   1.657300    
 H    4.570600     -0.1030000     -0.8831000    
 H  -0.3960000      0.5106000     -0.5254000    
 H  -0.1840000      -1.514300      -1.537600    
 H    2.786600      -1.749800      -2.074600    
 H    2.572700      -3.291300      -1.247800    
 H    3.912500      -2.617200      0.6468000    
 H    4.824500      -2.436100     -0.8419000    
 H    4.021900       1.895200     -0.4510000    
 H    4.210700       1.965100       1.282000    
 H  -0.7141000      -2.459000       1.328900    
 H    2.271900       3.148000       1.585500    
 H    2.902000       3.756100      5.6400001E-02
 H    5.156600     -0.8516000       2.025200    
 H    6.263000      -1.121800      0.6686000    
 H    5.834100      0.5188000       1.125900    
 H   0.5048000      -3.818700      -1.868200    
 H   0.3860000      -4.166300     -0.1316000    
 H   -1.067000      -3.828400      -1.085000    
 H   -2.315400     -0.6665000     -0.5510000    
 H   -2.629600      -2.376600     -0.2758000    
 H   0.7997000       4.494600      -1.021200    
 H  -0.6694000       3.557100     -0.7557000    
 H   0.1277000       4.312300      0.6234000    
 H   -3.024900      -1.924100       2.152300    
 H   -2.694100     -0.2073000       1.879000    
 H   -4.960800      -1.789400      0.5829000    
 H   -5.109200     -0.6199000       1.923000    
 H   -6.622000       1.818500      -1.571600    


%chk=000053422-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053422

0 1
O 1.863009 0.577272 -1.588272
O -0.201164 -0.479248 1.255825
O 0.341087 1.752808 0.792015
O 1.190427 2.013991 -1.508588
O -4.661517 0.245319 0.173264
O -5.827983 1.700585 -1.056654
O -6.995961 0.004165 0.066910
C 1.748457 -0.065715 -0.234035
C 1.602459 -1.618011 -0.354753
C 3.046651 0.300401 0.565974
C 4.293907 -0.587201 0.158485
C 0.342803 0.412039 0.263180
C 0.150116 -2.067011 -0.692154
C 2.779142 -2.214643 -1.148178
C 4.022231 -2.060356 -0.248163
C 3.501350 1.769412 0.307339
C -0.754095 -1.681986 0.532897
C 1.123254 2.626920 -0.151491
C 2.479906 2.898517 0.513116
C 5.375999 -0.563037 1.267035
C 0.038612 -3.585860 -0.953441
C -2.231190 -1.441480 0.169872
C 0.283391 3.878674 -0.412966
C -3.106421 -1.155017 1.407765
C -4.581590 -0.951905 1.073217
C -5.926284 0.582440 -0.232892
H 1.750673 -1.954638 0.696729
H 2.821573 0.149292 1.642841
H 4.716351 -0.102541 -0.747416
H -0.303651 0.398855 -0.640886
H -0.207853 -1.536029 -1.597184
H 2.913901 -1.695236 -2.116119
H 2.609203 -3.283957 -1.366640
H 3.874845 -2.681891 0.660357
H 4.929546 -2.448469 -0.751752
H 3.850721 1.817770 -0.740130
H 4.376519 1.982102 0.948000
H -0.675215 -2.477592 1.300073
H 2.271262 3.063871 1.585978
H 2.902871 3.837508 0.106924
H 4.989037 -1.025728 2.195459
H 6.267755 -1.137940 0.953011
H 5.712578 0.459327 1.513198
H 0.520448 -3.868389 -1.905335
H 0.515466 -4.168172 -0.141374
H -1.019639 -3.899523 -1.017908
H -2.310888 -0.592028 -0.534814
H -2.610963 -2.336868 -0.364337
H 0.798374 4.562861 -1.107760
H -0.697653 3.599641 -0.828070
H 0.123937 4.393720 0.550470
H -3.045091 -2.003418 2.120537
H -2.711551 -0.266236 1.930998
H -5.018424 -1.813824 0.534769
H -5.191598 -0.748775 1.971497
H -6.742927 1.949134 -1.349721


