%chk=000042074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042074

0 1
 O    3.143300       1.510800       2.042000    
 N   -3.706900      -1.181800     -5.7999999E-03
 N  -0.8711000     -0.9355000      0.1364000    
 C   -5.965700     -0.4165000      0.6001000    
 C   -7.361700     -5.0500002E-02  0.2481000    
 C   -6.376600       1.010600      0.6424000    
 C   -5.040400     -0.8620000     -0.5133000    
 C   -3.088400      3.8000001E-03  0.6047000    
 C   -2.855300      -1.704000      -1.084400    
 C   -1.708000     -0.3321000       1.172700    
 C   -1.469800      -2.077300     -0.5539000    
 C   0.4331000     -0.5775000     -4.5600001E-02
 C   0.6807000      0.8514000     -0.3739000    
 C    1.418200      -1.489800      6.6500001E-02
 C    1.742500       1.598600      0.1606000    
 C    2.869500      -1.297100     -3.9900001E-02
 C  -0.2213000       1.528600      -1.219800    
 C    3.535100     -0.1671000      0.4483000    
 C    2.805200      0.9952000      0.9844000    
 C    1.872500       2.971800     -0.1015000    
 C    3.641200      -2.358300     -0.5401000    
 C  -8.5299999E-02   2.892400      -1.494200    
 C   0.9567000       3.615800     -0.9274000    
 C    4.934700     -9.4599999E-02  0.4370000    
 C    5.035800      -2.282700     -0.5671000    
 C    5.681900      -1.152300     -7.6200001E-02
 H   -5.833500     -0.9637000       1.525600    
 H   -8.145000     -0.2966000      0.9546000    
 H   -7.667800     -9.2000000E-02 -0.7900000    
 H   -6.028900       1.686000     -0.1294000    
 H   -6.495000       1.472600       1.615000    
 H   -4.994500     -0.1116000      -1.314000    
 H   -5.479400      -1.768200     -0.9498000    
 H   -3.688800      0.3776000       1.441200    
 H   -3.005100      0.8180000     -0.1265000    
 H   -2.754600     -0.9649000      -1.890400    
 H   -3.310000      -2.602400      -1.519000    
 H   -1.257000      0.5783000       1.585500    
 H   -1.805800      -1.038700       2.007000    
 H   -1.542800      -2.924500      0.1397000    
 H  -0.8507000      -2.400900      -1.400000    
 H    1.139300      -2.520300      0.2898000    
 H   -1.050700       1.000700      -1.685900    
 H    2.697300       3.544400      0.3161000    
 H    3.163400      -3.263700     -0.9097000    
 H  -0.7982000       3.386600      -2.147900    
 H    5.452100      0.7844000      0.8129000    
 H    1.062600       4.675900      -1.137100    
 H    5.615800      -3.111800     -0.9617000    
 H    6.766200      -1.095200     -9.1799997E-02


%chk=000042074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042074

0 1
O 3.874250 1.746247 1.700892
N -3.742312 -1.159645 -0.075232
N -0.930161 -0.483844 -0.282710
C -6.105894 -0.831829 0.695960
C -7.582558 -0.539266 0.393617
C -6.651640 0.601547 0.830905
C -5.177860 -1.220270 -0.446719
C -3.268398 0.206932 0.245670
C -2.873168 -1.773234 -1.104557
C -1.812562 0.164649 0.730347
C -1.409724 -1.837381 -0.629375
C 0.470026 -0.221656 -0.210593
C 0.846266 1.210655 -0.358053
C 1.367192 -1.276777 -0.145170
C 2.043812 1.805625 0.155831
C 2.822672 -1.293538 -0.104370
C -0.070558 2.056587 -1.057558
C 3.666985 -0.231199 0.366229
C 3.191988 1.107069 0.831882
C 2.238344 3.211687 0.013322
C 3.452543 -2.537553 -0.440252
C 0.156487 3.431865 -1.222758
C 1.316122 4.024131 -0.664459
C 5.073113 -0.442088 0.467394
C 4.840378 -2.719366 -0.361265
C 5.666193 -1.658477 0.095762
H -5.891382 -1.363178 1.630474
H -8.337990 -0.894921 1.099735
H -7.902610 -0.561632 -0.653656
H -6.355610 1.333236 0.071383
H -6.779618 1.019501 1.833880
H -5.405219 -0.576070 -1.338429
H -5.392465 -2.266017 -0.744617
H -3.904072 0.627440 1.042779
H -3.341333 0.884350 -0.646154
H -2.908196 -1.203361 -2.069410
H -3.228519 -2.801688 -1.304610
H -1.452017 1.185939 0.929955
H -1.767703 -0.409790 1.682780
H -1.344046 -2.531778 0.240842
H -0.785003 -2.240761 -1.446196
H 0.928912 -2.281473 -0.132125
H -0.961079 1.588478 -1.487714
H 3.145465 3.637618 0.452527
H 2.817472 -3.365765 -0.777285
H -0.560750 4.039846 -1.785262
H 5.677483 0.381443 0.860404
H 1.501064 5.098305 -0.771367
H 5.283638 -3.680108 -0.646105
H 6.750839 -1.790582 0.167733


