%chk=000096929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096929

0 1
 O   -1.425600      -1.665800      5.4099999E-02
 O   -3.582000      -2.425900      1.3700000E-02
 N    3.131000     -0.1423000      0.1392000    
 C   -1.005500      0.7399000     -4.8000002E-03
 C    1.753000      0.1607000      9.0999998E-02
 C    1.312700       1.482200      3.9900001E-02
 C  -0.5355000     -0.5731000      4.6999998E-02
 C  -5.6000002E-02   1.770500     -7.7000000E-03
 C   0.8264000     -0.8764000      9.4899997E-02
 C   -2.456300      0.9667000     -5.2700002E-02
 C    2.285900       2.617200      3.2900002E-02
 C    3.656400      -1.422500     -0.2195000    
 C   -3.279200     -9.1499999E-02 -4.5000002E-02
 C   -2.993600       2.366600     -0.1094000    
 C   -2.798800      -1.482500      9.7000003E-03
 C    5.166900      -1.423900     -8.3200000E-02
 H  -0.3738000       2.809700     -4.7100000E-02
 H    1.120200      -1.920300      0.1384000    
 H    3.776200      0.6354000      0.2166000    
 H    2.874400       2.624100      0.9564000    
 H    2.957500       2.543500     -0.8291000    
 H    1.780900       3.586900     -3.5799999E-02
 H    3.266600      -2.206000      0.4398000    
 H    3.387900      -1.675200      -1.251700    
 H   -4.356700      3.9000001E-02 -7.9700001E-02
 H   -2.637600       2.884200      -1.006500    
 H   -2.688500       2.936700      0.7747000    
 H   -4.088900       2.382900     -0.1412000    
 H    5.622400     -0.6768000     -0.7420000    
 H    5.470400      -1.193500      0.9437000    
 H    5.573900      -2.404700     -0.3479000    


%chk=000096929-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096929

0 1
O -1.442836 -1.681572 -0.090270
O -3.592088 -2.523404 -0.118053
N 3.122629 -0.124215 -0.033596
C -1.045320 0.753133 -0.032055
C 1.762467 0.150489 -0.033007
C 1.314230 1.527084 -0.003087
C -0.565823 -0.591693 -0.061161
C -0.060663 1.786648 -0.003560
C 0.804346 -0.897922 -0.062000
C -2.480169 0.981073 -0.032796
C 2.329125 2.654641 0.027105
C 3.690937 -1.478197 -0.061372
C -3.340421 -0.106719 -0.061606
C -3.028811 2.391962 -0.001991
C -2.892857 -1.489654 -0.091619
C 5.227295 -1.420923 -0.048425
H -0.392723 2.830770 0.018848
H 1.098324 -1.949429 -0.085310
H 3.775564 0.657753 -0.009134
H 2.983525 2.602183 0.921465
H 2.986424 2.646796 -0.866499
H 1.826508 3.635517 0.051276
H 3.329470 -2.057774 0.813860
H 3.342408 -2.015409 -0.968262
H -4.425300 0.029366 -0.062954
H -2.682207 2.974376 -0.876492
H -2.691523 2.931360 0.903197
H -4.130736 2.389287 -0.007893
H 5.614641 -0.876595 -0.929561
H 5.600938 -0.922326 0.865046
H 5.647347 -2.440805 -0.071393


