%chk=000055510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055510

0 1
 O   -2.562200       1.153200      8.9999998E-04
 O    4.978700     -0.1650000      9.9999997E-05
 O   -4.544300      -1.719600     -2.7000001E-03
 O   -5.060100      0.4186000      1.4000000E-03
 N   -4.193900     -0.5038000     -3.0000001E-04
 C  -0.6003000      2.6400000E-02  3.9999999E-04
 C   0.8197000     -3.6699999E-02 -1.9999999E-04
 C   -1.673400     -0.9103000      1.0000000E-03
 C   -1.205500       1.279300      3.9999999E-04
 C    1.558500       1.176400     -6.9999998E-04
 C   -2.835800     -0.1760000      1.3000000E-03
 C  -0.5120000       2.486600     -1.9999999E-04
 C   0.8843000       2.409000     -7.9999998E-04
 C    1.493700      -1.274100       0.000000    
 C    2.960400       1.109500     -8.9999998E-04
 C   -1.600800      -2.385300     -3.0000001E-04
 C    3.617600     -0.1232000     -6.9999998E-04
 C    2.887300      -1.310000     -1.9999999E-04
 C    5.588000      -1.454800      1.5000000E-03
 H   -1.025600       3.440900     -1.9999999E-04
 H    1.449900       3.339800     -1.1000000E-03
 H   0.9717000      -2.222400      3.9999999E-04
 H    3.551900       2.023400     -1.1000000E-03
 H   -1.067500      -2.738900      0.8887000    
 H   -2.565400      -2.891600      7.9999998E-04
 H   -1.069600      -2.737500     -0.8910000    
 H    3.338400      -2.296600      9.9999997E-05
 H    5.346700      -2.015400     -0.9080000    
 H    5.345300      -2.014100      0.9114000    
 H    6.672000      -1.299800      2.0999999E-03


%chk=000055510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055510

0 1
O -2.628018 1.246460 -0.000025
O 5.041641 -0.119358 0.000217
O -4.639935 -1.720688 -0.002840
O -5.178041 0.509727 -0.001962
N -4.319088 -0.456438 0.000441
C -0.659559 0.014382 0.000193
C 0.780701 -0.114033 0.000216
C -1.767614 -0.927219 0.000268
C -1.226682 1.312835 -0.000002
C 1.554277 1.117429 0.000122
C -2.920918 -0.132206 0.000204
C -0.495963 2.523079 -0.000121
C 0.892061 2.404663 -0.000036
C 1.489580 -1.350676 0.000283
C 2.975899 1.054083 0.000141
C -1.688719 -2.428234 0.000594
C 3.641673 -0.181460 0.000224
C 2.889666 -1.395748 0.000287
C 5.787578 -1.382568 0.000358
H -1.006580 3.488762 -0.000258
H 1.515568 3.305312 -0.000099
H 0.937288 -2.293181 0.000313
H 3.571176 1.972578 0.000074
H -1.141768 -2.787209 0.892400
H -2.692872 -2.872313 0.001032
H -1.142447 -2.787703 -0.891444
H 3.396203 -2.364835 0.000341
H 5.568356 -1.980665 -0.905142
H 5.568260 -1.980528 0.905926
H 6.845976 -1.086248 0.000397


