%chk=000091881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091881

0 1
 O   -1.586000     -0.4392000       1.442000    
 N   -2.068500     -0.2230000     -0.8249000    
 C   0.1010000      0.4385000     -2.1199999E-02
 C   0.7426000     -0.3452000      -1.210900    
 C   0.9167000      0.4929000       1.292200    
 C  -0.1424000       1.903700     -0.4589000    
 C    2.283800     -0.2642000      -1.258300    
 C    1.611300     -0.7960000       1.724700    
 C    3.042100      -1.249400     -0.3687000    
 C    3.004200     -0.9463000       1.122600    
 C   -1.269400     -0.1157000      0.3003000    
 C   0.2498000      -1.792800      -1.380600    
 C  -0.8330000       2.672300      0.6576000    
 C    1.176100       2.557600     -0.8437000    
 C   -3.415300     -0.7455000     -0.7912000    
 C   -3.812900      -1.147600      0.6190000    
 H   0.4190000      0.1482000      -2.140200    
 H   0.2658000      0.7726000       2.132100    
 H    1.683400       1.268900       1.298700    
 H  -0.7975000       1.958200      -1.337600    
 H    2.694400      0.7225000      -1.061000    
 H    2.580000     -0.4892000      -2.293100    
 H   0.9952000      -1.678200       1.529700    
 H    1.737600     -0.7556000       2.814900    
 H    4.094800      -1.247500     -0.6809000    
 H    2.693000      -2.273700     -0.5378000    
 H    3.521600      -1.760000       1.646500    
 H    3.590900     -4.0800001E-02   1.322300    
 H   0.2081000      -2.338500     -0.4347000    
 H  -0.7250000      -1.865400      -1.867500    
 H   0.9237000      -2.346200      -2.046300    
 H  -0.1942000       2.835300       1.531200    
 H   -1.094700       3.674300      0.2940000    
 H   -1.773700       2.223200      0.9876000    
 H    1.980400       2.526600     -0.1097000    
 H   0.9929000       3.630000      -1.001200    
 H    1.533400       2.213500      -1.818400    
 H   -1.736600      0.1011000      -1.726900    
 H   -4.082200      3.1099999E-02  -1.177900    
 H   -3.456400      -1.603400      -1.469000    
 H   -3.209400      -1.971200       1.014100    
 H   -3.850300     -0.2993000       1.310200    
 H   -4.839300      -1.534600      0.5827000    


%chk=000091881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091881

0 1
O -1.209138 -1.231380 1.406865
N -2.157326 -0.379762 -0.520525
C 0.200690 0.308734 0.038901
C 0.890213 -0.343278 -1.248214
C 1.092687 0.295924 1.320890
C -0.226488 1.810577 -0.285438
C 2.448682 -0.191681 -1.312475
C 1.893501 -0.989481 1.657884
C 3.292998 -1.228972 -0.530057
C 3.293604 -1.049857 1.004590
C -1.103336 -0.493541 0.377064
C 0.502373 -1.823345 -1.523208
C -0.969283 2.483799 0.897475
C 0.919864 2.735135 -0.767717
C -3.435391 -1.091108 -0.342774
C -4.589384 -0.154733 0.074912
H 0.500576 0.238157 -2.114546
H 0.426727 0.509852 2.175180
H 1.814239 1.135403 1.262198
H -0.939381 1.766875 -1.139069
H 2.751353 0.823294 -0.995942
H 2.724797 -0.275589 -2.384791
H 1.297216 -1.886879 1.415440
H 2.031930 -1.015764 2.757258
H 4.339581 -1.160947 -0.891965
H 2.952113 -2.251460 -0.781407
H 3.873220 -1.880382 1.457241
H 3.839310 -0.115952 1.259357
H 0.696804 -2.475718 -0.655512
H -0.566009 -1.924496 -1.777534
H 1.090819 -2.211109 -2.376416
H -0.278623 2.692587 1.733980
H -1.403442 3.448873 0.575809
H -1.789283 1.852349 1.283726
H 1.721141 2.830901 -0.012705
H 0.517407 3.749795 -0.948668
H 1.373476 2.385803 -1.710996
H -2.059138 0.241006 -1.324731
H -3.691612 -1.618826 -1.282507
H -3.259192 -1.849560 0.438741
H -4.356128 0.338760 1.034462
H -4.772819 0.629492 -0.683356
H -5.524347 -0.731499 0.200381


