%chk=000026805.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026805

0 1
 O   0.9005000     -7.5800002E-02 -1.9999999E-04
 O   -5.606600       2.766600      1.0000000E-03
 O   -5.329300      -1.814300       0.000000    
 N   -3.715100     -0.1098000     -9.9999997E-05
 N   -5.847200      0.4543000      3.0000001E-04
 N   -2.610800     -0.8834000     -9.9999997E-05
 N    7.008900       1.616000     -1.9999999E-04
 C   -3.657800       1.319900     -3.0000001E-04
 C    1.965800     -0.9146000     -9.9999997E-05
 C    3.255300     -0.2680000      7.9999998E-04
 C   -5.141600       1.635300     -1.9999999E-04
 C  -0.2068000     -0.8632000     -3.9999999E-04
 C   -5.000100     -0.6361000      9.9999997E-05
 C    1.561000      -2.224200     -6.0000003E-04
 C   0.1460000      -2.192700     -6.0000003E-04
 C    4.420300      -1.034800      1.6000000E-03
 C    3.336800       1.124600     -5.0000002E-04
 C   -1.478200     -0.2240000     -3.0000001E-04
 C    5.748700      0.9833000     -1.9999999E-04
 C    5.666900     -0.4093000      1.1000000E-03
 C    4.583500       1.750300     -1.1000000E-03
 H   -3.207700       1.705300     -0.9188000    
 H   -3.207400       1.705600      0.9179000    
 H   -6.858800      0.3919000      6.9999998E-04
 H    2.188000      -3.104400     -6.9999998E-04
 H  -0.5267000      -3.038700     -7.9999998E-04
 H    4.389700      -2.121200      2.4000001E-03
 H    2.452300       1.756600     -1.3000000E-03
 H   -1.404600      0.8760000     -3.0000001E-04
 H    6.567800      -1.017700      1.9000000E-03
 H    4.634300       2.836200     -2.0999999E-03
 H    7.068600       2.625500     -2.0999999E-03
 H    7.854100       1.060700     -3.9999999E-04


%chk=000026805-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026805

0 1
O 0.920513 0.014208 -0.000220
O -6.140617 2.682369 0.000467
O -5.283481 -1.957338 0.001020
N -3.814144 -0.052118 -0.000560
N -6.038508 0.309329 0.000512
N -2.636643 -0.775626 -0.000264
N 7.242854 1.509122 -0.000226
C -3.980049 1.419403 -0.000772
C 2.037470 -0.852369 -0.000039
C 3.358237 -0.245124 -0.000075
C -5.510430 1.600674 -0.001077
C -0.242839 -0.800027 -0.000162
C -5.051963 -0.734101 -0.000240
C 1.574000 -2.176298 0.000057
C 0.143463 -2.143231 0.000066
C 4.531522 -1.054277 0.000446
C 3.525578 1.170221 -0.000647
C -1.497900 -0.097124 -0.000318
C 5.973218 0.936781 -0.000192
C 5.811412 -0.481744 0.000388
C 4.801876 1.752037 -0.000706
H -3.539886 1.891132 -0.899484
H -3.539942 1.891330 0.897875
H -7.035970 0.093871 0.001913
H 2.195737 -3.069265 0.000131
H -0.542378 -2.987321 0.000168
H 4.439203 -2.146134 0.000920
H 2.637003 1.809076 -0.001054
H -1.425620 1.004370 -0.000510
H 6.697765 -1.127703 0.000809
H 4.903058 2.844191 -0.001148
H 7.360171 2.518231 -0.000705
H 8.077087 0.929353 0.000028


