%chk=000060989.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060989

0 1
 O    3.074300     -0.8835000     -0.3659000    
 O    2.617300      -1.790400      0.6646000    
 C    2.414100      0.3658000     -5.7500001E-02
 C   0.9330000      0.1957000     -9.3099996E-02
 C   -3.319100     -0.2910000     -0.1966000    
 C   -1.837900     -0.1217000     -0.1604000    
 C   0.3574000     -0.7232000     -0.9704000    
 C   0.1232000      0.9562000      0.7504000    
 C    2.989800      0.7875000       1.318700    
 C    2.874600       1.385900      -1.123200    
 C   -1.028100     -0.8820000      -1.004000    
 C   -1.262200      0.7975000      0.7168000    
 C   -4.048900      0.9966000     -0.6237000    
 C   -3.887500     -0.7933000       1.144200    
 H   -3.570500      -1.054000     -0.9460000    
 H   0.9633000      -1.316800      -1.649700    
 H   0.5335000       1.691700       1.434900    
 H    4.081000      0.6767000       1.332200    
 H    2.763300       1.834300       1.549700    
 H    2.598900      0.1765000       2.140700    
 H    3.967000       1.476900      -1.128100    
 H    2.441600       2.376700     -0.9484000    
 H    2.586400       1.058700      -2.129200    
 H   -1.460400      -1.599800      -1.696000    
 H   -1.874300       1.402300       1.380200    
 H   -3.921900       1.801500      0.1082000    
 H   -5.123100      0.8109000     -0.7318000    
 H   -3.671100       1.356500      -1.587200    
 H   -3.393900      -1.721600       1.452600    
 H   -4.960100     -0.9967000       1.054100    
 H   -3.753600     -5.9700001E-02   1.946500    
 H    3.472100      -1.862700       1.122400    


%chk=000060989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060989

0 1
O 3.187440 -0.748311 -0.618409
O 2.986127 -1.985605 0.272797
C 2.474704 0.413202 0.003440
C 0.952579 0.196951 -0.012854
C -3.419723 -0.309352 -0.187062
C -1.900902 -0.123500 -0.129430
C 0.370788 -0.845972 -0.771762
C 0.088754 1.080573 0.684770
C 3.042168 0.671296 1.413655
C 2.875419 1.531304 -0.994298
C -1.032087 -1.000247 -0.824413
C -1.311699 0.922410 0.627618
C -4.131370 0.932123 -0.787557
C -4.002324 -0.655417 1.209889
H -3.623606 -1.169003 -0.857404
H 1.024201 -1.540702 -1.306796
H 0.504767 1.902613 1.279985
H 4.141168 0.772034 1.361435
H 2.634744 1.603606 1.841068
H 2.784206 -0.161853 2.087585
H 3.969322 1.680317 -0.996430
H 2.384876 2.474867 -0.698876
H 2.543727 1.273623 -2.014125
H -1.460257 -1.821301 -1.413553
H -1.950292 1.622738 1.180085
H -3.983453 1.823199 -0.149178
H -5.220012 0.754479 -0.870046
H -3.740514 1.168439 -1.793595
H -3.528672 -1.562543 1.626273
H -5.092863 -0.829426 1.145908
H -3.832572 0.171874 1.924184
H 3.943554 -2.190917 0.472098


