%chk=000017802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017802

0 1
 O    1.810900     -0.7189000     -3.8999999E-03
 N  -0.4147000      -1.351100     -7.9999998E-04
 N   0.2217000      0.9625000     -1.2000001E-03
 N   -2.100200      0.3569000      1.5000000E-03
 N   -2.691500      -1.912400      1.4000000E-03
 N   -1.447800       2.609300      1.1000000E-03
 C    2.760300      0.3376000     -4.9999999E-03
 C   0.4849000     -0.3541000     -1.9000000E-03
 C    4.154400     -0.2523000      7.7000000E-03
 C   -1.686600     -0.9208000      7.9999998E-04
 C   -1.091500       1.243200      3.0000001E-04
 H    2.641600      0.9524000     -0.9053000    
 H    2.632300      0.9644000      0.8858000    
 H    4.912800      0.5357000      7.1000000E-03
 H    4.299200     -0.8811000      0.8926000    
 H    4.310200     -0.8929000     -0.8665000    
 H   -2.427300      -2.887900      1.0000000E-03
 H   -3.663400      -1.635200      2.7000001E-03
 H  -0.7217000       3.312200      8.9999998E-04
 H   -2.424600       2.868300      2.9000000E-03


%chk=000017802-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017802

0 1
O 1.807704 -0.693394 -0.000598
N -0.399975 -1.339150 0.000783
N 0.195172 1.023304 -0.001021
N -2.160920 0.366882 0.000383
N -2.664782 -1.921452 0.001946
N -1.520505 2.619024 -0.001314
C 2.834435 0.380479 -0.000791
C 0.487587 -0.309195 -0.000084
C 4.188654 -0.324697 0.005563
C -1.715753 -0.934849 0.000940
C -1.156673 1.298499 -0.000573
H 2.692483 1.013008 -0.896743
H 2.686921 1.019165 0.889794
H 5.000055 0.426658 0.005275
H 4.296923 -0.957950 0.902816
H 4.302146 -0.964180 -0.886619
H -2.361579 -2.891990 0.002450
H -3.648522 -1.665815 0.002217
H -0.796124 3.331960 -0.002147
H -2.508247 2.859492 -0.001076


