%chk=000094579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094579

0 1
 O    1.508100     -0.2406000      0.3128000    
 O    2.596900       1.126300      -1.198200    
 C  -0.8092000     -0.9228000      0.3599000    
 C   -1.548900       1.890700     -0.2600000    
 C   0.2179000      6.6299997E-02 -0.2154000    
 C  -0.1239000       1.512400      0.1541000    
 C   -2.238000     -0.5335000     -3.7999999E-02
 C   -2.561900      0.9099000      0.3414000    
 C  -0.5259000      -2.327300     -8.7300003E-02
 C   -1.870800       3.323700      0.1597000    
 C  -0.2093000      -3.311800       1.005700    
 C  -0.5332000      -2.716600      -1.373100    
 C    2.525800      0.5621000     -0.1148000    
 C    3.572400      0.6612000      0.9532000    
 H  -0.7371000     -0.8838000       1.456300    
 H   -1.618900       1.836000      -1.354600    
 H   0.2547000     -2.1299999E-02  -1.309700    
 H   0.5707000       2.218900     -0.3136000    
 H   4.1000000E-03   1.650700       1.236800    
 H   -2.959500      -1.201100      0.4500000    
 H   -2.391300     -0.6438000      -1.119100    
 H   -3.572500       1.156200     -5.7000001E-03
 H   -2.570800       1.002900       1.435100    
 H   -1.167300       4.029200     -0.2948000    
 H   -2.879800       3.604300     -0.1604000    
 H   -1.815100       3.442900       1.247000    
 H   0.6760000      -2.988500       1.563100    
 H   -1.051400      -3.388800       1.701400    
 H  -8.1000002E-03  -4.315100      0.6155000    
 H  -0.3177000      -3.742600      -1.652700    
 H  -0.7519000      -2.024900      -2.179200    
 H    3.977300     -0.3308000       1.168700    
 H    3.141100       1.105500       1.853800    
 H    4.387300       1.301900      0.6043000    


%chk=000094579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094579

0 1
O 1.426449 -0.043181 0.592440
O 2.597779 1.023645 -1.124659
C -0.878096 -0.830372 0.351302
C -1.727860 2.016494 -0.262374
C 0.121627 0.264533 -0.089918
C -0.326934 1.679274 0.312069
C -2.277622 -0.487012 -0.237107
C -2.744563 0.929207 0.167555
C -0.385956 -2.238324 -0.016144
C -2.179019 3.428046 0.166637
C 0.165506 -3.062773 1.131753
C -0.414571 -2.710870 -1.290791
C 2.592115 0.400892 -0.037807
C 3.809158 0.020958 0.779962
H -0.954384 -0.766901 1.457561
H -1.656945 1.995548 -1.372082
H 0.295618 0.211688 -1.181962
H 0.419294 2.413407 -0.044100
H -0.360805 1.742015 1.419034
H -3.003378 -1.249459 0.103055
H -2.242043 -0.558813 -1.342446
H -3.734212 1.141276 -0.282701
H -2.876705 0.977489 1.269373
H -1.459028 4.198911 -0.165188
H -3.167077 3.678466 -0.262690
H -2.262710 3.495232 1.268652
H 1.000427 -2.523577 1.619104
H -0.607231 -3.225638 1.909645
H 0.528559 -4.049553 0.795551
H -0.041263 -3.712122 -1.534707
H -0.804631 -2.122289 -2.129441
H 3.832834 -1.070116 0.944234
H 3.763605 0.502677 1.772404
H 4.721859 0.339043 0.255985


