%chk=000097696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097696

0 1
 O    1.728700       2.388800      0.3199000    
 O    3.987900      -1.768700     -3.6499999E-02
 O  -0.8870000       2.322000      0.2703000    
 N  -0.8347000      -1.709500     -0.1084000    
 C   0.4294000      0.3550000      0.1071000    
 C   0.3949000      -1.043100     -2.6000001E-02
 C   -2.126700      0.3416000      6.5800004E-02
 C   -2.073200      -1.056100     -6.5800004E-02
 C  -0.8538000       1.103600      0.1578000    
 C    1.647700       1.035100      0.1912000    
 C    1.601400      -1.749600     -7.3299997E-02
 C    2.819000      -1.072000      1.0700000E-02
 C    2.841500      0.3163000      0.1428000    
 C   -3.354200       1.008700      0.1104000    
 C   -3.270000      -1.775200     -0.1523000    
 C   -4.538300      0.2774000      2.3200000E-02
 C   -4.496900      -1.110500     -0.1078000    
 C    1.788200       3.151900     -0.8837000    
 C    5.196100      -1.015700      5.4600000E-02
 H  -0.8279000      -2.716600     -0.2044000    
 H    1.595800      -2.832600     -0.1759000    
 H    3.758400      0.8926000      0.2139000    
 H   -3.409100       2.088800      0.2120000    
 H   -3.256300      -2.857500     -0.2548000    
 H   -5.495500      0.7897000      5.7300001E-02
 H   -5.421800      -1.676000     -0.1755000    
 H    1.628000       4.203600     -0.6311000    
 H    1.017700       2.840400      -1.596300    
 H    2.777400       3.048600      -1.340500    
 H    5.279700     -0.5030000       1.018900    
 H    5.308600     -0.3303000     -0.7924000    
 H    6.025600      -1.728500     -9.9999997E-05


%chk=000097696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097696

0 1
O 2.043378 2.457841 -0.008198
O 4.008762 -1.936181 0.109587
O -0.879994 2.420536 0.558001
N -0.752056 -1.653803 -0.164361
C 0.479842 0.469629 0.009094
C 0.468249 -0.975234 -0.074846
C -2.045456 0.385894 0.058293
C -1.995569 -1.024698 -0.138351
C -0.799553 1.187089 0.219236
C 1.782794 1.089485 0.018831
C 1.650674 -1.745228 -0.045799
C 2.894683 -1.094049 0.062775
C 2.964578 0.317813 0.077841
C -3.312290 1.023372 0.120995
C -3.195147 -1.776615 -0.278014
C -4.500086 0.287333 -0.021656
C -4.435329 -1.119746 -0.221804
C 1.306268 3.357490 -0.920901
C 5.331280 -1.313915 0.242145
H -0.722878 -2.671907 -0.234830
H 1.622515 -2.838265 -0.090423
H 3.911990 0.860602 0.088736
H -3.319323 2.105165 0.289067
H -3.147371 -2.862372 -0.426844
H -5.471756 0.789485 0.022939
H -5.358697 -1.699446 -0.330945
H 2.008801 4.181790 -1.122368
H 0.387368 3.710232 -0.429945
H 1.054265 2.832995 -1.861935
H 5.396914 -0.707491 1.165130
H 5.566522 -0.683357 -0.636353
H 6.037220 -2.155244 0.296002


