%chk=000094987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094987

0 1
 O    5.534700     -4.1000000E-03  0.2585000    
 C  -0.8842000      0.6741000      2.5100000E-02
 C   -2.312200       1.055400     -2.7200000E-02
 C  -0.7781000     -0.8012000      2.9899999E-02
 C   -3.037600     -0.1610000     -5.2900001E-02
 C   -2.108300      -1.285600     -1.9099999E-02
 C   0.1460000       1.526700      6.1999999E-02
 C   -2.953300       2.282100     -5.0500002E-02
 C   0.3057000      -1.661600      7.0200004E-02
 C   -4.422900     -0.1488000     -0.1019000    
 C   -2.356400      -2.649300     -2.7500000E-02
 C    1.523000       1.135500      0.1124000    
 C   -4.348900       2.289300     -9.9699996E-02
 C   5.0700001E-02  -3.034600      6.1400000E-02
 C   -5.076000       1.087100     -0.1250000    
 C   -1.265900      -3.523500      1.3000000E-02
 C    2.161200      0.9048000       1.343900    
 C    2.268500      0.9736000      -1.068700    
 C    3.502300      0.5243000       1.392600    
 C    3.609600      0.5932000      -1.019900    
 C    4.226500      0.3686000      0.2107000    
 C    6.215600     -0.1450000     -0.9873000    
 H  -2.6300000E-02   2.599900      5.2900001E-02
 H   -2.403400       3.216300     -3.0999999E-02
 H    1.338600      -1.358200      0.1025000    
 H   -4.999600      -1.067500     -0.1220000    
 H   -3.366500      -3.043600     -6.4499997E-02
 H   -4.881600       3.236500     -0.1186000    
 H   0.8800000      -3.736700      9.0800002E-02
 H   -6.161800       1.120100     -0.1632000    
 H   -1.437400      -4.596800      6.8000001E-03
 H    1.613600       1.021400       2.276900    
 H    1.804000       1.144500      -2.037900    
 H    3.977300      0.3502000       2.354100    
 H    4.112500      0.4898000      -1.975400    
 H    6.271300      0.8074000      -1.525400    
 H    5.776900     -0.9416000      -1.597700    
 H    7.244100     -0.4451000     -0.7615000    


%chk=000094987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094987

0 1
O 5.829068 0.201928 0.266314
C -0.892539 0.296879 -0.187860
C -2.279578 0.844662 -0.226736
C -1.046854 -1.158404 0.104149
C -3.209938 -0.200627 0.074345
C -2.447338 -1.446599 0.266380
C 0.216541 1.079920 -0.437916
C -2.743569 2.155703 -0.462767
C -0.116370 -2.222109 0.141646
C -4.594351 0.058565 0.134377
C -2.898082 -2.758186 0.515664
C 1.652021 0.814668 -0.273577
C -4.134404 2.413434 -0.411494
C -0.574056 -3.540034 0.381571
C -5.053304 1.373981 -0.114090
C -1.951541 -3.807185 0.582989
C 2.186928 -0.004067 0.769419
C 2.581374 1.476786 -1.125211
C 3.569904 -0.179298 0.922799
C 3.973702 1.297374 -0.997183
C 4.472636 0.456731 0.030256
C 6.807424 0.842640 -0.617213
H -0.001485 2.092915 -0.810351
H -2.048357 2.974832 -0.679704
H 0.948517 -2.047534 -0.030616
H -5.308028 -0.739303 0.368082
H -3.965965 -2.969334 0.640963
H -4.506672 3.426871 -0.598805
H 0.147604 -4.364037 0.410000
H -6.125819 1.594932 -0.074558
H -2.284222 -4.833186 0.776504
H 1.506865 -0.465429 1.491568
H 2.201208 2.134330 -1.916612
H 3.979184 -0.792066 1.731760
H 4.649372 1.814238 -1.685118
H 6.751878 1.946052 -0.544260
H 6.662611 0.530522 -1.669546
H 7.787336 0.496039 -0.258367


