%chk=000023413.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023413

1 1
 O   0.1595000       1.020500     -0.5543000    
 N    3.615000     -0.1828000      0.1790000    
 C    2.478000      0.8183000      3.3399999E-02
 C    3.826400     -0.9063000      -1.143100    
 C    4.890900      0.5516000      0.5652000    
 C    3.264900      -1.194600       1.260600    
 C    1.216900      8.6400002E-02 -0.3814000    
 C   -1.111000      0.5678000     -0.3115000    
 C   -1.417600     -0.7701000     -0.5322000    
 C   -2.080000       1.450200      0.1518000    
 C   -3.688500     -0.3523000      0.1786000    
 C   -2.710800      -1.231700     -0.2863000    
 C   -3.373100      0.9887000      0.3978000    
 C   -5.070700     -0.8456000      0.4425000    
 H    2.345600       1.336300      0.9910000    
 H    2.768900       1.564800     -0.7155000    
 H    3.883500     -0.1652000      -1.945800    
 H    4.771200      -1.456200      -1.078300    
 H    3.021700      -1.625100      -1.316200    
 H    4.718100       1.066400       1.515000    
 H    5.698800     -0.1788000      0.6691000    
 H    5.127200       1.271200     -0.2242000    
 H    2.932600     -0.6562000       2.153000    
 H    2.498700      -1.885800      0.9013000    
 H    4.168500      -1.769400       1.488900    
 H    1.334600     -0.4275000      -1.338800    
 H   0.9436000     -0.6316000      0.3972000    
 H  -0.6965000      -1.481500     -0.9228000    
 H   -1.838400       2.495300      0.3233000    
 H   -2.946900      -2.276900     -0.4687000    
 H   -4.126600       1.684000      0.7584000    
 H   -5.543800     -0.2807000       1.252900    
 H   -5.683500     -0.7460000     -0.4589000    
 H   -5.063500      -1.897600      0.7474000    


%chk=000023413-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023413

1 1
O 0.169816 0.775252 0.263576
N 3.801834 -0.194671 0.121021
C 2.477555 0.593287 0.221647
C 3.918915 -0.894738 -1.233336
C 4.950518 0.808918 0.260598
C 3.908964 -1.225810 1.245337
C 1.192131 -0.232611 0.037084
C -1.195123 0.358796 0.162205
C -1.598351 -0.956516 -0.146384
C -2.147080 1.373986 0.398281
C -3.963476 -0.255128 0.014762
C -2.982676 -1.248052 -0.216780
C -3.516953 1.060285 0.323207
C -5.445759 -0.572030 -0.060045
H 2.457912 1.069154 1.216659
H 2.512901 1.386101 -0.544415
H 3.761416 -0.155733 -2.033597
H 4.924851 -1.333177 -1.320565
H 3.163740 -1.690294 -1.304331
H 4.851327 1.336225 1.221401
H 5.908292 0.267757 0.226905
H 4.898716 1.531506 -0.567771
H 3.802770 -0.712162 2.212854
H 3.115935 -1.978428 1.133515
H 4.893180 -1.715178 1.186428
H 1.107124 -0.657383 -0.984427
H 1.104174 -1.054900 0.777876
H -0.876852 -1.758933 -0.333628
H -1.806895 2.386480 0.635513
H -3.297256 -2.269880 -0.457053
H -4.254389 1.850146 0.507049
H -5.947660 -0.374754 0.905371
H -5.951840 0.051017 -0.820493
H -5.624061 -1.628931 -0.320066


