%chk=000041561.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041561

0 1
 O    2.068100      0.4600000       1.343000    
 O   -3.000500      0.4518000      0.1114000    
 C    1.958000     -6.5000001E-03 -3.4000000E-03
 C   0.5772000     -0.6713000     -0.1755000    
 C  -0.6124000      0.2586000      8.3099999E-02
 C    2.156200       1.182500     -0.9460000    
 C    3.060700      -1.045300     -0.2331000    
 C   -1.938400     -0.4617000     -0.1274000    
 C   -4.268900     -0.1681000     -5.2000001E-02
 H   0.4998000      -1.515100      0.5233000    
 H   0.4964000      -1.086200      -1.188500    
 H  -0.5745000      0.6597000       1.103000    
 H  -0.5816000       1.126300     -0.5855000    
 H    1.489300       2.013000     -0.6921000    
 H    3.173600       1.581800     -0.8576000    
 H    1.989800      0.9003000      -1.990500    
 H    4.052300     -0.6090000     -6.5899998E-02
 H    3.028000      -1.449800      -1.250000    
 H    2.967200      -1.876300      0.4755000    
 H   -2.004400     -0.8375000      -1.155200    
 H   -2.019600      -1.308100      0.5647000    
 H    2.942500      0.8725000       1.447900    
 H   -4.389600     -0.9888000      0.6617000    
 H   -4.386500     -0.5377000      -1.075300    
 H   -5.044200      0.5782000      0.1405000    


%chk=000041561-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041561

0 1
O 1.942662 0.344868 1.416038
O -3.018125 0.486742 -0.001505
C 1.978276 -0.025075 -0.028941
C 0.598141 -0.676618 -0.288094
C -0.607470 0.268734 -0.091858
C 2.209187 1.245092 -0.878576
C 3.108252 -1.054758 -0.256603
C -1.933456 -0.496130 -0.113254
C -4.334088 -0.143882 0.021592
H 0.509610 -1.533775 0.409288
H 0.595552 -1.091326 -1.316341
H -0.506471 0.794144 0.874117
H -0.640772 1.036315 -0.887660
H 1.473677 2.024815 -0.619655
H 3.222439 1.655082 -0.700886
H 2.120946 1.025434 -1.958692
H 4.097469 -0.616012 -0.021706
H 3.134149 -1.397171 -1.307730
H 2.957749 -1.933539 0.395101
H -2.044762 -1.074602 -1.060783
H -1.982918 -1.216818 0.735536
H 2.802974 0.778936 1.649779
H -4.445119 -0.828040 0.891004
H -4.529408 -0.720847 -0.908906
H -5.069992 0.671733 0.104837


