%chk=000040706.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040706

0 1
 O    1.399300      -1.333400      3.5999999E-03
 O   -2.054200     -0.5544000     -0.3499000    
 O    2.399100      0.3819000      -1.137800    
 O  -0.7347000     -0.6723000       1.518600    
 C   0.2512000       2.009900      0.3586000    
 C   5.3399999E-02  0.6325000     -0.4197000    
 C    1.221200       2.964900     -0.3788000    
 C   -1.089000       2.767500      0.5255000    
 C   0.8329000       1.802200       1.778100    
 C  -0.5279000      0.8234000      -1.847100    
 C    1.425700     -9.0099998E-02 -0.5607000    
 C  -0.9288000     -0.2792000      0.3735000    
 C    2.604300      -2.098200     -0.1091000    
 C   -3.041900      -1.354500      0.3086000    
 C    2.402400      -3.438600      0.5646000    
 C   -4.213100      -1.561600     -0.6280000    
 H   0.9215000       3.140900      -1.415400    
 H    1.239300       3.947800      0.1093000    
 H    2.253900       2.607100     -0.3685000    
 H  -0.9540000       3.681200       1.116800    
 H   -1.838300       2.158700       1.041700    
 H   -1.504900       3.071600     -0.4401000    
 H   0.1129000       1.343500       2.461400    
 H    1.108800       2.763100       2.230100    
 H    1.737100       1.185500       1.763500    
 H   -1.499600       1.326600      -1.848500    
 H   0.1504000       1.403700      -2.480700    
 H  -0.6485000     -0.1429000      -2.353400    
 H    2.843500      -2.248400      -1.167800    
 H    3.424900      -1.559400      0.3773000    
 H   -2.606700      -2.323500      0.5770000    
 H   -3.379900     -0.8424000       1.216400    
 H    3.306300      -4.050600      0.4974000    
 H    2.143700      -3.304000       1.620100    
 H    1.572100      -3.981500      0.1010000    
 H   -4.988900      -2.170500     -0.1556000    
 H   -4.647000     -0.5997000     -0.9203000    
 H   -3.886900      -2.056000      -1.549000    


%chk=000040706-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040706

0 1
O 1.441863 -1.459781 -0.178449
O -1.999699 -0.473077 -0.151504
O 2.678533 0.471292 0.168714
O -0.710490 -0.583389 1.773206
C 0.172616 2.111426 0.325383
C 0.194091 0.599681 -0.220540
C 1.020402 3.033897 -0.595229
C -1.293787 2.633897 0.333614
C 0.725659 2.210300 1.776027
C -0.082981 0.519651 -1.753769
C 1.571952 -0.080090 -0.019350
C -0.842449 -0.218238 0.581395
C 2.694167 -2.265794 -0.044055
C -3.075313 -1.218336 0.574467
C 2.295423 -3.727336 -0.218127
C -4.249872 -1.346938 -0.389457
H 0.572229 3.145341 -1.598634
H 1.069899 4.040890 -0.140481
H 2.051043 2.656497 -0.699026
H -1.288470 3.710230 0.585352
H -1.908108 2.118520 1.094756
H -1.792158 2.520565 -0.645704
H 0.220716 1.502293 2.454790
H 0.553706 3.235258 2.154512
H 1.808976 2.010941 1.805518
H -1.019258 1.037690 -2.012058
H 0.746100 0.979767 -2.316912
H -0.180207 -0.531758 -2.067016
H 3.410744 -1.923850 -0.812995
H 3.129161 -2.059802 0.950352
H -2.665589 -2.197422 0.881896
H -3.333215 -0.653525 1.488824
H 3.187719 -4.372454 -0.120873
H 1.563412 -4.026922 0.550902
H 1.848691 -3.900060 -1.212331
H -5.073691 -1.900406 0.097257
H -4.627561 -0.353676 -0.686927
H -3.954656 -1.894481 -1.300826


