%chk=000180498.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180498

0 1
O 1.142853 -1.610801 1.310389
N -1.932634 -0.399081 -0.240599
C 0.949496 -0.563596 0.328258
C 0.047888 0.529184 0.935687
C 0.320221 -1.179392 -0.937134
C -1.408358 0.069803 1.083226
C -1.146528 -1.579496 -0.728935
C -3.393838 -0.733533 -0.158269
C 2.349728 -0.034572 0.048507
C -4.210781 0.569774 -0.136977
C 2.532732 1.007039 -0.873828
C 3.460618 -0.579920 0.705479
C -5.716657 0.280030 -0.165565
C 3.815483 1.495600 -1.133733
C 4.742785 -0.088580 0.442921
C -6.536049 1.568227 -0.135615
C 4.922763 0.949093 -0.476224
H 0.082746 1.433185 0.294597
H 0.450688 0.830990 1.921562
H 0.911458 -2.062335 -1.247528
H 0.384958 -0.451468 -1.771134
H -2.032007 0.931694 1.412394
H -1.488753 -0.701444 1.879914
H -1.211270 -2.456882 -0.049621
H -1.576415 -1.897659 -1.704882
H -3.647672 -1.363571 0.720341
H -3.672054 -1.321627 -1.060731
H -3.922134 1.198442 -1.003728
H -3.954587 1.169899 0.757187
H 0.288063 -2.005146 1.562396
H 1.676760 1.438996 -1.390781
H 3.316106 -1.391660 1.423979
H -5.996638 -0.359736 0.694118
H -5.972343 -0.301861 -1.073044
H 3.952573 2.303503 -1.849811
H 5.601471 -0.516751 0.956725
H -7.610556 1.355370 -0.163558
H -6.340217 2.151450 0.771349
H -6.306816 2.211750 -0.993111
H 5.920816 1.330982 -0.680121


%chk=000180498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180498

0 1
O 1.110088 -1.626539 1.353616
N -1.937673 -0.371453 -0.249767
C 0.982618 -0.558491 0.330389
C 0.075006 0.578745 0.884074
C 0.328157 -1.150285 -0.951170
C -1.393658 0.132128 1.033404
C -1.148160 -1.533161 -0.723868
C -3.392204 -0.669610 -0.191456
C 2.404676 -0.056276 0.057525
C -4.278383 0.589252 -0.097007
C 2.625723 0.969016 -0.898812
C 3.517642 -0.595711 0.747980
C -5.785331 0.251272 -0.178147
C 3.929340 1.444028 -1.160295
C 4.823226 -0.120253 0.486530
C -6.682303 1.504364 -0.086326
C 5.036263 0.900446 -0.467498
H 0.111261 1.442684 0.196361
H 0.474513 0.903503 1.862462
H 0.908360 -2.036664 -1.267364
H 0.373430 -0.402831 -1.763418
H -1.996838 0.991472 1.373025
H -1.477472 -0.652016 1.839500
H -1.215829 -2.395686 -0.000814
H -1.581983 -1.893442 -1.674797
H -3.635377 -1.360562 0.659504
H -3.653951 -1.210287 -1.122576
H -3.999757 1.275832 -0.920036
H -4.087004 1.131754 0.850374
H 0.206074 -1.986825 1.539239
H 1.780916 1.404247 -1.446847
H 3.342431 -1.384560 1.483235
H -6.049812 -0.454015 0.636426
H -5.989998 -0.281033 -1.129675
H 4.081061 2.236173 -1.902518
H 5.674294 -0.548151 1.029087
H -7.753900 1.240493 -0.150418
H -6.522313 2.037838 0.869723
H -6.458026 2.212265 -0.906210
H 6.048791 1.268237 -0.669335


