%chk=000004846.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004846

0 1
 O    2.620200       1.640000      8.9999998E-04
 O   -1.810700       3.201800     -1.9999999E-04
 O  -0.6740000      -2.612000     -3.9999999E-04
 O   -5.512000      0.6298000      1.2000001E-03
 O   -5.629900      -1.654100      3.4000000E-03
 N   -2.935600      0.6913000     -1.4000000E-03
 N    1.569400      -1.021800     -1.3000000E-03
 C  -0.7199000     -0.2083000     -1.6000000E-03
 C   0.7609000     -5.2999998E-03 -1.3000000E-03
 C   -1.567400      0.8386000     -1.6000000E-03
 C    1.254000       1.400100     -9.9999997E-05
 C   -1.057000       2.233000     -7.9999998E-04
 C   -1.346700      -1.585600     -1.5000000E-03
 C   0.4030000       2.427600      6.0000003E-04
 C    2.946900     -0.7583000     -9.9999997E-05
 C    3.449200      0.5461000      8.9999998E-04
 C   -3.530500     -0.5393000     -6.0000003E-04
 C   -2.837400      -1.684000     -6.9999998E-04
 C    3.848200      -1.827900     -3.0000001E-04
 C    4.824200      0.7860000      1.4000000E-03
 C    5.224800      -1.594000      6.0000003E-04
 C    5.712100     -0.2879000      1.4000000E-03
 C   -4.991700     -0.6160000      1.6000000E-03
 H   0.7639000       3.451100      1.7000000E-03
 H   -3.517200       1.520400     -3.9999999E-04
 H   -3.281300      -2.672000      1.9999999E-04
 H    3.483100      -2.852100     -1.1000000E-03
 H    5.207900       1.802500      1.9000000E-03
 H    5.916700      -2.431200      5.0000002E-04
 H    6.783100     -0.1076000      1.9000000E-03
 H   -6.493000      0.6196000      2.4999999E-03


%chk=000004846-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004846

0 1
O 2.568050 1.611687 0.000783
O -1.952977 3.182952 0.000135
O -0.672027 -2.779861 0.001532
O -5.549620 0.747406 0.001133
O -5.753592 -1.579272 0.001008
N -2.919428 0.705781 -0.000624
N 1.609524 -1.089741 -0.000307
C -0.705738 -0.309436 -0.000700
C 0.736874 -0.067273 0.000037
C -1.552566 0.815423 -0.000507
C 1.190268 1.347574 0.000480
C -1.078715 2.242092 0.000222
C -1.316379 -1.681722 -0.002044
C 0.349419 2.440097 0.000543
C 2.976134 -0.797279 0.000020
C 3.476855 0.540151 0.000591
C -3.547637 -0.530947 -0.000394
C -2.793549 -1.687497 -0.000555
C 3.917195 -1.866266 -0.000210
C 4.850238 0.833145 0.000944
C 5.294200 -1.591629 0.000131
C 5.758659 -0.245883 0.000714
C -5.035375 -0.558859 0.000232
H 0.746756 3.457429 0.000869
H -3.450936 1.591540 -0.000385
H -3.296574 -2.658056 -0.000033
H 3.520224 -2.885523 -0.000656
H 5.185917 1.873906 0.001380
H 6.016581 -2.413485 -0.000053
H 6.834331 -0.041981 0.000979
H -6.542812 0.726028 0.002035


