%chk=000019027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019027

0 1
 O   -3.562600      -2.247100     -0.2587000    
 N    4.901500     -0.6594000     -0.6480000    
 N   -1.206100       2.698200     -3.9200000E-02
 C    2.148000     -0.1900000      0.2570000    
 C    3.064500      0.9474000     -0.2114000    
 C    2.991600      -1.365200      0.7670000    
 C    1.177000      0.2944000       1.330000    
 C    4.110300      0.4405000      -1.204100    
 C    4.041000      -1.780600     -0.2639000    
 C   2.4599999E-02   1.054300      0.7307000    
 C   -1.194000      0.4943000      0.3073000    
 C   8.8000000E-03   2.396800      0.5157000    
 C   -1.961200       1.555500     -0.1780000    
 C   -1.739100     -0.8046000      0.2802000    
 C   -3.251500       1.381800     -0.6911000    
 C   -3.028600     -0.9934000     -0.2302000    
 C   -3.771500      8.4399998E-02 -0.7078000    
 C   -2.752800      -3.307500      0.2442000    
 H    1.580700     -0.5509000     -0.6131000    
 H    3.573300       1.401300      0.6490000    
 H    2.484500       1.740000     -0.6954000    
 H    2.345300      -2.222200      0.9918000    
 H    3.491300      -1.087200       1.704300    
 H    1.691500      0.9185000       2.072100    
 H   0.7741000     -0.5611000       1.887400    
 H    3.625600      0.1217000      -2.135200    
 H    4.785900       1.263400      -1.462300    
 H    4.665800      -2.573100      0.1622000    
 H    3.553400      -2.201600      -1.151800    
 H    5.574600     -0.9757000      -1.345500    
 H   0.7365000       3.174300      0.7017000    
 H   -1.505900       3.625100     -0.3080000    
 H   -1.118200      -1.605800      0.6617000    
 H   -3.830500       2.220300      -1.063200    
 H   -4.772200     -7.8500003E-02  -1.101200    
 H   -3.332600      -4.231200      0.1453000    
 H   -2.537500      -3.179900       1.310600    
 H   -1.842900      -3.437900     -0.3516000    


%chk=000019027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019027

0 1
O -3.466012 -2.212863 -0.566839
N 4.772295 -0.733780 -0.817662
N -1.287060 2.871799 0.226901
C 2.153037 -0.262404 0.400528
C 2.855659 0.793018 -0.487648
C 3.213890 -1.187494 1.047044
C 1.247230 0.397405 1.483760
C 3.787509 0.122094 -1.518074
C 4.138925 -1.808567 -0.021676
C 0.072148 1.164327 0.927677
C -1.147196 0.596443 0.374719
C -0.056919 2.551209 0.820333
C -1.978992 1.686415 -0.056004
C -1.608223 -0.741910 0.220469
C -3.249982 1.473911 -0.637262
C -2.877995 -0.946183 -0.355659
C -3.690919 0.148963 -0.783988
C -2.696237 -3.380428 -0.145447
H 1.507089 -0.884182 -0.258009
H 3.462230 1.461932 0.156101
H 2.103370 1.413830 -1.009876
H 2.719299 -1.994327 1.624779
H 3.832779 -0.598689 1.753255
H 1.877651 1.068217 2.101467
H 0.881499 -0.400055 2.164009
H 3.155584 -0.457112 -2.241358
H 4.334161 0.890386 -2.096190
H 4.933535 -2.406731 0.462391
H 3.529373 -2.506893 -0.653991
H 5.503174 -1.089764 -1.446737
H 0.639219 3.330587 1.126274
H -1.627781 3.812444 0.044638
H -0.985240 -1.578088 0.551059
H -3.881840 2.306554 -0.965597
H -4.665545 -0.078728 -1.225862
H -3.325695 -4.248662 -0.391852
H -2.497036 -3.362460 0.944897
H -1.734385 -3.450914 -0.692075


