%chk=000021856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021856

0 1
 O   -2.663300      -2.311000      6.9999998E-04
 O   -3.627300      0.8864000     -8.9999998E-04
 O    4.083000     -0.9247000      2.0999999E-03
 N  -0.3076000      -2.297800      1.0000000E-03
 N   -1.657000       2.177700     -1.3000000E-03
 N    2.893500       1.108700      3.9999999E-04
 N   -1.016800     -7.0400000E-02 -3.0000001E-04
 N    1.319100     -0.6193000      6.0000003E-04
 N   0.6266000       1.678100     -5.0000002E-04
 C   1.3300000E-02 -0.9319000      3.0000001E-04
 C  -0.6345000       1.216900     -7.9999998E-04
 C    1.550100      0.7034000       0.000000    
 C   -1.576700      -2.880300      1.2000001E-03
 C   -3.036500       1.961500     -1.2000001E-03
 C    4.032600      0.3011000      1.5000000E-03
 C   -1.493800      -4.386200     -2.6000000E-03
 C   -3.800000       3.262100      2.7000001E-03
 C    5.295200       1.125900     -3.0000000E-03
 H   0.4986000      -2.918000      8.9999998E-04
 H   -1.328000       3.140200     -8.9999998E-04
 H    3.027300       2.117000     -6.0000003E-04
 H  -0.9876000      -4.726300     -0.9104000    
 H   -2.500300      -4.812700      2.4100000E-02
 H  -0.9403000      -4.730100      0.8757000    
 H   -3.565000       3.826000      0.9098000    
 H   -4.874600       3.061000     -2.2299999E-02
 H   -3.530100       3.854000     -0.8765000    
 H    5.337300       1.732500     -0.9119000    
 H    6.168000      0.4676000      2.5599999E-02
 H    5.315700       1.778900      0.8741000    


%chk=000021856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021856

0 1
O -2.734300 -2.655512 0.003027
O -3.806846 1.166593 -0.002798
O 4.121588 -0.927838 0.004442
N -0.377465 -2.418599 0.001570
N -1.674339 2.199589 -0.001409
N 2.803209 1.037679 0.001306
N -1.170639 -0.149240 0.000086
N 1.205174 -0.751592 0.001070
N 0.551034 1.582842 -0.000011
C -0.141478 -1.045814 0.000797
C -0.755016 1.149752 -0.000393
C 1.483258 0.576262 0.000742
C -1.592057 -3.162740 0.001853
C -3.099228 2.196022 -0.001975
C 4.029044 0.321370 0.002678
C -1.328417 -4.671333 -0.002895
C -3.666465 3.619471 0.002085
C 5.239230 1.259451 -0.003124
H 0.500753 -2.949249 0.001521
H -1.211382 3.113803 -0.001113
H 2.855449 2.061026 0.000210
H -0.778749 -4.974897 -0.913453
H -2.294553 -5.195404 0.021960
H -0.730323 -4.976042 0.876082
H -3.358776 4.167783 0.912203
H -4.763846 3.557331 -0.021218
H -3.320703 4.192003 -0.878860
H 5.253103 1.884260 -0.915716
H 6.154323 0.650807 0.024444
H 5.229318 1.932517 0.874389


