%chk=000022384.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022384

0 1
 O   -3.005600      -1.291600      -1.650000    
 O   0.5915000      0.4169000     -0.3927000    
 O    4.043500     -0.3990000     -0.8287000    
 O    2.049200       1.354200       1.689500    
 O    1.977500      0.3907000      -2.227400    
 N   -3.501900      0.3914000       1.100900    
 C   -2.290900     -0.1652000      0.4245000    
 C   -2.745500      -1.459200     -0.2609000    
 C   -4.650800     -0.4397000      0.7231000    
 C   -4.039200      -1.806900      0.4602000    
 C   -1.743200      0.9382000     -0.4227000    
 C   -3.626400       1.795000      0.6569000    
 C   -2.495900       2.033600     -0.2887000    
 C  -0.5070000      0.7882000      -1.231400    
 C    2.882900     -0.1392000     -2.2299999E-02
 C    2.549400      -1.474800      0.7082000    
 C    3.217200       1.046600      0.9184000    
 C    1.788700      0.2486000      -1.024800    
 C    3.585100      -1.916600       1.746300    
 C    2.286400      -2.633100     -0.2686000    
 C    3.635100       2.321900      0.1902000    
 H   -1.576900     -0.4116000       1.220900    
 H   -2.004300      -2.257600     -0.1557000    
 H   -5.147100     -8.3099999E-02 -0.1880000    
 H   -5.394200     -0.4756000       1.525000    
 H   -3.823000      -2.311700       1.409500    
 H   -4.705900      -2.436400     -0.1369000    
 H   -3.529800       2.456400       1.524400    
 H   -4.583300       2.013500      0.1704000    
 H   -2.309600       2.978600     -0.7778000    
 H  -0.2647000       1.731600      -1.735800    
 H  -0.6547000      1.6700000E-02  -1.995200    
 H   -3.647000     -0.5703000      -1.761900    
 H    1.608100      -1.329200       1.255800    
 H    4.031000      0.7869000       1.603700    
 H    4.577100      -2.027000       1.296600    
 H    3.307600      -2.880100       2.187800    
 H    3.658000      -1.198900       2.568600    
 H    1.917200      -3.509700      0.2761000    
 H    3.196900      -2.939500     -0.7934000    
 H    1.526000      -2.376900      -1.012300    
 H    4.523900       2.163000     -0.4272000    
 H    3.858800       3.111100      0.9169000    
 H    2.828300       2.709100     -0.4409000    
 H    3.809700      -1.035600      -1.524200    
 H    1.899300      0.6169000       2.304400    


%chk=000022384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022384

0 1
O -2.876219 -1.145921 -1.854213
O 0.608866 0.561040 -0.336880
O 4.008238 -0.721093 -0.799376
O 2.601788 1.391323 1.957928
O 1.987715 0.358033 -2.201068
N -3.538810 0.309400 0.999569
C -2.236399 -0.146379 0.385366
C -2.586599 -1.429952 -0.436512
C -4.605672 -0.685423 0.702122
C -3.825748 -1.968701 0.317786
C -1.753949 1.062979 -0.405477
C -3.789816 1.732460 0.634640
C -2.617429 2.102327 -0.261437
C -0.511195 1.029216 -1.236358
C 2.886898 -0.229235 0.011125
C 2.355526 -1.396623 0.905344
C 3.470899 0.975613 0.852215
C 1.795529 0.254888 -0.959726
C 3.454717 -1.923287 1.858903
C 1.823033 -2.555677 0.029580
C 3.717955 2.233747 0.016292
H -1.496691 -0.419025 1.165043
H -1.754224 -2.149550 -0.477161
H -5.258816 -0.355010 -0.145248
H -5.266139 -0.851630 1.572542
H -3.499910 -2.501510 1.229942
H -4.410178 -2.663326 -0.307351
H -3.827873 2.389976 1.528223
H -4.767837 1.850460 0.112690
H -2.496152 3.097619 -0.700639
H -0.239466 2.018420 -1.642514
H -0.594279 0.304482 -2.067352
H -3.547009 -0.417147 -1.904921
H 1.507525 -0.990965 1.492470
H 4.439584 0.590829 1.234114
H 4.330880 -2.258421 1.276845
H 3.070873 -2.782877 2.437929
H 3.804440 -1.166301 2.586454
H 1.440040 -3.372933 0.667261
H 2.633488 -2.959768 -0.602139
H 0.997970 -2.232613 -0.632951
H 4.315906 1.995038 -0.879268
H 4.264735 2.977940 0.619142
H 2.760836 2.688406 -0.295325
H 3.795773 -0.515349 -1.752872
H 2.528698 0.655118 2.616062


