%chk=000036328.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036328

0 1
 O  -0.5767000     -0.9810000      5.0000002E-04
 O   -3.481100      0.9611000     -1.1000000E-03
 O   -3.175600      -1.217100       0.000000    
 N   -2.707500     -4.0899999E-02  1.9999999E-04
 C   0.8190000      0.7954000      9.9999997E-05
 C   0.7296000     -0.5929000      9.9999997E-05
 C  -0.5197000       1.268300      3.9999999E-04
 C   -1.325000      0.1529000      6.9999998E-04
 C    2.094600       1.386300       0.000000    
 C    1.831000      -1.446900     -3.9999999E-04
 C    3.221800      0.5530000       0.000000    
 C    3.089600     -0.8380000     -5.0000002E-04
 H  -0.8494000       2.298200      3.0000001E-04
 H    2.213000       2.465600      1.9999999E-04
 H    1.720500      -2.524700     -5.0000002E-04
 H    4.213900      0.9971000      9.9999997E-05
 H    3.981900      -1.459200     -6.9999998E-04


%chk=000036328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036328

0 1
O -0.590509 -1.078090 -0.000014
O -3.437899 1.109923 -0.000201
O -3.297461 -1.184884 -0.000333
N -2.773508 -0.005668 0.000321
C 0.821620 0.778343 0.000095
C 0.756015 -0.651222 -0.000066
C -0.545097 1.249434 0.000240
C -1.337729 0.114528 0.000188
C 2.096476 1.405566 0.000068
C 1.878297 -1.489846 -0.000240
C 3.238419 0.583487 -0.000101
C 3.132141 -0.840455 -0.000257
H -0.910071 2.273215 0.000384
H 2.186877 2.496063 0.000180
H 1.782908 -2.578341 -0.000352
H 4.233792 1.039185 -0.000126
H 4.045631 -1.444040 -0.000385


