%chk=000096118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096118

0 1
 O   0.5091000      0.6284000     -1.6000001E-02
 O   -3.574500      -1.964400      0.2014000    
 O   -5.007100      0.3565000      0.1036000    
 O   -3.709600       2.792600     -5.0299998E-02
 O   -1.205300      -3.060600      0.2100000    
 O    6.826300      0.3950000     -0.1413000    
 C   -1.508500     -0.7199000      9.4700001E-02
 C  -0.8574000      0.5101000      1.6899999E-02
 C   -2.903700     -0.7802000      0.1244000    
 C    1.273400     -0.5271000      3.9200000E-02
 C   -3.643900      0.4018000      7.5700000E-02
 C  -0.7008000      -1.948200      0.1438000    
 C   -1.600000       1.690100     -3.2099999E-02
 C   -2.993800       1.634200     -2.4000001E-03
 C   0.7644000      -1.767500      0.1089000    
 C    2.729500     -0.2861000     -8.1000002E-03
 C    3.579500      -1.229500     -0.5905000    
 C    3.263600      0.8878000      0.5294000    
 C    4.954700      -1.000900     -0.6348000    
 C    4.638900       1.116700      0.4850000    
 C    5.484500      0.1723000     -9.7300000E-02
 C   -3.917100      -2.595300      -1.030400    
 C   -5.629200      0.4032000       1.385200    
 C   -4.074400       3.275900      -1.341500    
 C    7.301200       1.614900      0.4266000    
 H   -1.094900       2.650900     -9.2200004E-02
 H    1.364200      -2.668300      0.1643000    
 H    3.204200      -2.145100      -1.039700    
 H    2.627900       1.636400      0.9964000    
 H    5.608300      -1.737700      -1.093800    
 H    4.983700       2.047300      0.9225000    
 H   -4.225400      -3.622100     -0.8155000    
 H   -3.067700      -2.621300      -1.720700    
 H   -4.755600      -2.070000      -1.497700    
 H   -5.319100     -0.4504000       1.996200    
 H   -6.712100      0.3548000       1.242000    
 H   -5.386200       1.339300       1.897800    
 H   -4.700500       2.545700      -1.864000    
 H   -3.181200       3.497600      -1.934200    
 H   -4.646700       4.198600      -1.212800    
 H    7.100100       1.663000       1.502100    
 H    6.909900       2.486900     -0.1084000    
 H    8.389200       1.626400      0.3040000    


%chk=000096118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096118

0 1
O 0.576175 0.574808 -0.004116
O -3.842751 -1.729140 -0.062017
O -5.037313 0.742887 0.012455
O -3.418801 3.121421 0.093453
O -1.284338 -3.161046 0.035011
O 6.969750 0.292857 0.139126
C -1.546426 -0.721391 -0.055895
C -0.832476 0.515674 -0.022171
C -2.981257 -0.627040 -0.072320
C 1.328510 -0.607439 0.045113
C -3.634302 0.636436 0.000255
C -0.765150 -1.990069 0.014179
C -1.458994 1.771016 -0.014297
C -2.864105 1.841420 0.002066
C 0.688380 -1.826768 0.069150
C 2.778550 -0.349944 0.068639
C 3.718705 -1.422737 0.064108
C 3.278548 0.978978 0.096220
C 5.096673 -1.174541 0.088514
C 4.662387 1.242657 0.120042
C 5.579088 0.161187 0.116935
C -3.852771 -2.616131 -1.249760
C -5.720168 0.138873 1.183693
C -4.507368 3.485625 -0.844800
C 7.529064 1.649093 0.170561
H -0.868567 2.689260 -0.004280
H 1.264533 -2.751982 0.128002
H 3.373540 -2.460893 0.037981
H 2.569815 1.811243 0.100043
H 5.822387 -1.992968 0.084587
H 5.010226 2.279404 0.141611
H -4.731847 -3.262679 -1.105386
H -2.930458 -3.218288 -1.267101
H -3.972384 -2.012996 -2.169247
H -5.520756 -0.944026 1.221442
H -6.791378 0.333653 1.021941
H -5.380567 0.631306 2.114269
H -5.346688 2.777535 -0.767314
H -4.114969 3.504952 -1.879431
H -4.811422 4.498250 -0.540429
H 7.209195 2.192766 1.080090
H 7.238393 2.222923 -0.730264
H 8.619236 1.507654 0.185745


