%chk=000019978.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019978

1 1
 O    3.292800     -4.6200000E-02  -1.966700    
 O  -0.8318000     -0.1607000       1.647600    
 N    2.346000      -2.750000     -0.4124000    
 N    3.054300      0.2738000      0.3490000    
 N   -2.495400      -1.288400      0.4317000    
 C    1.396000      -2.214400      0.5922000    
 C    3.619200      -1.894000     -0.4716000    
 C   0.1661000      -3.108200      0.6414000    
 C    1.713500      -2.759900      -1.811400    
 C    2.755500      -4.188500     -6.4900003E-02
 C  -0.8643000      -2.569900       1.631500    
 C    3.305000     -0.4543000     -0.8101000    
 C   -1.375300      -1.186700       1.252100    
 C   -3.253700     -0.2325000     -0.1277000    
 C    2.725500       1.646500      0.4509000    
 C   -2.645000      0.6867000     -0.9825000    
 C   -4.610000     -0.1112000      0.1749000    
 C    2.505400       2.219700       1.703400    
 C    2.622000       2.426600     -0.7009000    
 C   -3.392700       1.726800      -1.534600    
 C   -5.357700      0.9289000     -0.3772000    
 C   -1.194100      0.5835000      -1.325700    
 C   -5.290700      -1.080300       1.086600    
 C   -4.749000       1.847800      -1.231900    
 C    2.181600       3.572700       1.804100    
 C    2.298500       3.779600     -0.6001000    
 C    2.078200       4.352600      0.6525000    
 H    1.096400      -1.211600      0.2832000    
 H    1.897200      -2.172300       1.566100    
 H    4.120900      -1.979500      0.4995000    
 H    4.281300      -2.312400      -1.238600    
 H  -0.3295000      -3.185700     -0.3306000    
 H   0.4129000      -4.120700      0.9745000    
 H    1.220700      -1.800600      -1.990500    
 H    2.507600      -2.925700      -2.546700    
 H   0.9968000      -3.581800      -1.886900    
 H    1.923800      -4.871700     -0.2526000    
 H    3.068000      -4.215300      0.9830000    
 H    3.591500      -4.468300     -0.7141000    
 H  -0.4268000      -2.498900       2.634900    
 H   -1.701600      -3.273000       1.712500    
 H    3.121900     -0.2118000       1.240500    
 H   -3.003300      -2.167300      0.5044000    
 H    2.581700       1.622900       2.608700    
 H    2.776100       2.054800      -1.704100    
 H   -2.932400       2.452200      -2.200200    
 H   -6.415500       1.037700     -0.1531000    
 H  -0.5801000       1.073200     -0.5651000    
 H  -0.9854000       1.076800      -2.282500    
 H  -0.8746000     -0.4553000      -1.451300    
 H   -5.337200      -2.071500      0.6238000    
 H   -4.761700      -1.150000       2.043100    
 H   -6.318000     -0.7735000       1.311800    
 H   -5.331100       2.658000      -1.661500    
 H    2.009600       4.018900       2.779300    
 H    2.216700       4.388000      -1.496200    
 H    1.825800       5.406000      0.7308000    


%chk=000019978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019978

1 1
O 4.493991 -0.247918 -0.661417
O -0.606541 -0.772724 0.615829
N 2.744969 -2.999398 -0.016477
N 2.512497 0.301992 0.491001
N -2.813647 -1.283095 0.077966
C 1.285008 -2.918834 0.496572
C 3.558737 -1.939476 0.791470
C 0.170898 -3.486595 -0.397761
C 2.851046 -2.721670 -1.515785
C 3.327385 -4.380751 0.272124
C -1.208427 -3.147668 0.245178
C 3.552686 -0.533933 0.143475
C -1.507354 -1.633049 0.323447
C -3.347991 0.064840 0.156092
C 2.273442 1.645782 0.040598
C -2.920087 1.052556 -0.774326
C -4.333395 0.329860 1.150347
C 1.019225 2.214239 0.389969
C 3.226893 2.397291 -0.694215
C -3.490631 2.345921 -0.667399
C -4.882756 1.632167 1.212358
C -1.907621 0.754126 -1.862318
C -4.783926 -0.748576 2.119933
C -4.460636 2.636740 0.314675
C 0.725717 3.540410 0.016510
C 2.911737 3.724081 -1.060802
C 1.671356 4.303365 -0.708670
H 1.048178 -1.854433 0.637824
H 1.288599 -3.416499 1.483730
H 3.164916 -1.964003 1.821781
H 4.609150 -2.269675 0.787561
H 0.207346 -3.037187 -1.406006
H 0.244683 -4.584314 -0.512118
H 2.295733 -1.804819 -1.759990
H 3.910590 -2.575420 -1.773188
H 2.432677 -3.578861 -2.062745
H 2.665792 -5.147168 -0.159763
H 3.399679 -4.520937 1.361620
H 4.327787 -4.454375 -0.181159
H -1.245876 -3.555076 1.275660
H -1.997629 -3.666731 -0.327549
H 1.775843 -0.058891 1.106717
H -3.486379 -2.040011 -0.076411
H 0.274348 1.617560 0.930562
H 4.185115 1.953759 -0.968068
H -3.181729 3.121195 -1.377711
H -5.640557 1.857635 1.970552
H -0.880757 0.749647 -1.452269
H -1.951832 1.518061 -2.655852
H -2.085864 -0.233103 -2.327264
H -5.377987 -1.538762 1.618243
H -3.925559 -1.243048 2.611055
H -5.423151 -0.320993 2.909326
H -4.895140 3.640130 0.374206
H -0.241091 3.974230 0.292589
H 3.647736 4.308630 -1.622702
H 1.444402 5.335375 -0.994707


