%chk=000021051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021051

0 1
 O   -4.933900     -0.6754000     -1.5000000E-03
 O   -8.366000     -4.4000000E-03  8.0000004E-03
 O   -7.249100      -1.894300      3.0000001E-04
 O   0.9287000       1.637700     -3.1999999E-03
 N   -7.263500     -0.6279000      3.5999999E-03
 N   -1.517400      0.3940000     -4.4000000E-03
 N  -0.3530000     -0.2932000     -6.3999998E-03
 N    3.182400      7.1500003E-02 -3.8999999E-03
 N    1.935000     -0.4500000     -6.2000002E-03
 C   -3.912900      0.2002000     -1.5000000E-03
 C    5.547600     -0.4457000      3.0000001E-04
 C   -4.330600       1.489800      2.0999999E-03
 C   -6.061600      8.2500003E-02  2.2000000E-03
 C   -5.744200       1.420900      4.6000001E-03
 C    6.508800      -1.443300      3.5000001E-03
 C    5.898800      0.8943000      9.9999997E-05
 C    7.858500      -1.091200      6.5000001E-03
 C    7.248500       1.246500      3.0000000E-03
 C   -2.570800     -0.3578000     -5.4000001E-03
 C    8.228300      0.2536000      6.3000000E-03
 C    4.121800     -0.8175000     -2.4999999E-03
 C   0.8445000      0.4097000     -5.5999998E-03
 H   -3.718800       2.380600      3.0000000E-03
 H   -6.439500       2.248500      7.7999998E-03
 H    6.233100      -2.494100      3.8000001E-03
 H    5.156700       1.687300     -2.3000001E-03
 H    8.621500      -1.864100      8.8999998E-03
 H    7.536900       2.293600      2.7000001E-03
 H   -2.501500      -1.461700     -8.0000004E-03
 H    9.279200      0.5278000      8.5000005E-03
 H    3.897000      -1.900800     -2.9000000E-03
 H  -0.3834000      -1.307500     -8.3999997E-03
 H    1.826300      -1.459000     -7.4000000E-03


%chk=000021051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021051

0 1
O -5.086556 -0.699557 -0.003195
O -8.488579 0.430298 -0.003972
O -7.611450 -1.699937 -0.007759
O 0.888337 1.512548 0.005619
N -7.495871 -0.410988 -0.004947
N -1.566964 0.171368 0.002116
N -0.374682 -0.491197 0.002014
N 3.225410 -0.068196 0.002584
N 1.950773 -0.601977 0.002657
C -3.947411 0.134985 -0.000274
C 5.623496 -0.442505 0.000476
C -4.346878 1.481617 0.002262
C -6.186730 0.165898 -0.002391
C -5.775064 1.498678 0.000913
C 6.677801 -1.397101 -0.001701
C 5.942179 0.946495 0.002346
C 8.024559 -0.976259 -0.002027
C 7.287125 1.360784 0.002014
C -2.677493 -0.546536 -0.000515
C 8.333585 0.403531 -0.000176
C 4.234362 -0.914986 0.000698
C 0.840580 0.270545 0.004573
H -3.667829 2.330731 0.004769
H -6.436624 2.360880 0.002150
H 6.440410 -2.468721 -0.003156
H 5.123901 1.673645 0.004029
H 8.829519 -1.719150 -0.003720
H 7.526698 2.429779 0.003462
H -2.711688 -1.651661 -0.002871
H 9.378603 0.732431 -0.000428
H 4.084618 -2.015573 -0.000843
H -0.344528 -1.523719 -0.000236
H 1.813792 -1.625551 0.001132


