%chk=000022662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022662

0 1
 O   -2.362900     -0.7792000      0.6105000    
 O   -1.905400       1.952000      0.4069000    
 N    3.951500      0.2156000      8.2900003E-02
 C    1.264600     -0.7273000      0.1034000    
 C    2.415500      -1.698200      2.8600000E-02
 C    1.500600      0.6567000      2.3700001E-02
 C    3.678300      -1.068100     -0.5618000    
 C    2.892500       1.182700     -0.2278000    
 C  -3.8300000E-02  -1.197700      0.3117000    
 C   0.4228000       1.547200      0.1168000    
 C   -1.102200     -0.3018000      0.4137000    
 C  -0.8724000       1.068600      0.3143000    
 C   -2.887500      -1.654200     -0.3861000    
 C   -4.393300      -1.505200     -0.4300000    
 C   -2.563800       2.309000     -0.8069000    
 H    2.624800      -2.057600       1.044200    
 H    2.133200      -2.564100     -0.5820000    
 H    4.525400      -1.744300     -0.4022000    
 H    3.575500     -0.9344000      -1.646300    
 H    2.967800       1.488700      -1.278700    
 H    3.060200       2.071600      0.3909000    
 H    4.843500      0.5814000     -0.2492000    
 H  -0.2133000      -2.267200      0.4015000    
 H   0.5954000       2.618000      3.5399999E-02
 H   -2.473000      -1.418400      -1.374100    
 H   -2.623100      -2.685700     -0.1290000    
 H   -4.830600      -2.171700      -1.178700    
 H   -4.832100      -1.735100      0.5466000    
 H   -4.672900     -0.4740000     -0.6690000    
 H   -1.876900       2.847300      -1.467500    
 H   -3.401300       2.967500     -0.5616000    
 H   -2.953500       1.421700      -1.315200    


%chk=000022662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022662

0 1
O -2.507554 -0.358174 -0.180543
O -1.723515 2.351259 0.220756
N 3.973357 0.007128 0.326246
C 1.265363 -0.655979 -0.155400
C 2.344726 -1.728709 -0.252371
C 1.610415 0.704433 0.039920
C 3.715497 -1.114242 -0.600304
C 3.066674 1.153383 0.119891
C -0.103083 -1.017487 -0.244800
C 0.578359 1.669790 0.119284
C -1.131912 -0.055593 -0.141195
C -0.781569 1.319650 0.031557
C -2.892570 -1.779862 -0.254479
C -4.418146 -1.829154 -0.218439
C -2.764563 2.513168 -0.813182
H 2.434914 -2.250267 0.720903
H 2.064907 -2.487359 -1.009641
H 4.513090 -1.868851 -0.475666
H 3.714574 -0.796373 -1.674201
H 3.301506 1.726223 -0.816162
H 3.189436 1.858710 0.964031
H 4.960133 0.287291 0.360790
H -0.353027 -2.074344 -0.388014
H 0.811554 2.730862 0.266026
H -2.498656 -2.223906 -1.192486
H -2.450941 -2.324208 0.605600
H -4.763977 -2.878192 -0.258048
H -4.799236 -1.368934 0.709004
H -4.848376 -1.287583 -1.078491
H -2.302030 2.709503 -1.800871
H -3.347351 3.391234 -0.494234
H -3.408898 1.620383 -0.870480


