%chk=000286309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286309

0 1
O 3.637033 0.932214 0.381552
O -0.365562 0.603117 0.203241
O -2.266492 -1.126452 2.739980
O -1.900880 -2.197725 -1.750942
N 1.718065 -0.349051 0.129966
N 1.767636 2.038221 -0.363272
N -1.750724 -1.737586 0.538981
C 2.545600 -1.613482 0.060478
C 3.527572 -1.566015 -1.125897
C 3.290384 -1.844522 1.387822
C 2.411610 3.383316 -0.259422
C 4.305300 -2.886728 -1.197166
C 4.080156 -3.157368 1.319426
C 5.040819 -3.168690 0.121185
C 1.950769 4.242646 -1.454013
C 2.073330 4.053618 1.088762
C 0.488531 4.691679 -1.340104
C 0.604894 4.483039 1.180219
C 0.213706 5.383944 0.001422
C 2.451065 0.920973 0.085523
C 0.317855 -0.402530 0.304733
C -0.291811 -1.763696 0.664089
C -2.627003 -1.307850 1.609002
C -2.437607 -1.871397 -0.726596
C -3.983771 -1.230757 0.971219
C -3.872219 -1.566235 -0.408126
C -5.199351 -0.899851 1.529548
C -4.976043 -1.572461 -1.233080
C -6.334761 -0.904097 0.683932
C -6.225985 -1.232069 -0.662193
H 1.834341 -2.466957 -0.122644
H 4.240263 -0.720839 -1.000577
H 2.988874 -1.376829 -2.071261
H 2.590190 -1.853353 2.240123
H 3.982686 -0.991320 1.572807
H 3.525910 3.233647 -0.319141
H 3.620639 -3.722429 -1.436115
H 5.032447 -2.842091 -2.030382
H 3.387421 -4.017648 1.255828
H 4.650973 -3.294541 2.257770
H 5.830004 -2.405564 0.273943
H 5.561016 -4.142267 0.063141
H 2.609372 5.131172 -1.516302
H 2.100784 3.684720 -2.398932
H 2.320961 3.367291 1.921571
H 2.730632 4.935087 1.219456
H -0.185413 3.820306 -1.456897
H 0.243618 5.375149 -2.174934
H 0.428466 5.011595 2.135739
H -0.049287 3.588476 1.205157
H -0.856378 5.654159 0.073021
H 0.774892 6.336351 0.054515
H 0.740206 2.031685 -0.468861
H 0.122700 -2.571569 0.004233
H -0.016273 -2.016075 1.721010
H -5.288995 -0.640297 2.585389
H -4.894878 -1.827595 -2.290631
H -7.306820 -0.642389 1.105538
H -7.112569 -1.228380 -1.298629


%chk=000286309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286309

0 1
O 3.709910 0.999790 0.070320
O -0.417396 0.542255 -0.384043
O -1.967224 -1.126695 2.380503
O -2.136946 -2.195416 -2.197671
N 1.751140 -0.337498 -0.093181
N 1.704179 2.044055 -0.481589
N -1.724519 -1.732303 0.096284
C 2.613076 -1.564693 0.100804
C 3.653895 -1.747412 -1.033144
C 3.261344 -1.624666 1.507193
C 2.304821 3.396284 -0.558427
C 4.409952 -3.085853 -0.840315
C 4.024862 -2.961535 1.680457
C 5.070639 -3.162502 0.557367
C 1.461625 4.279587 -1.510856
C 2.413827 4.048708 0.848676
C 0.075423 4.640482 -0.919416
C 1.026706 4.392781 1.439403
C 0.213916 5.293815 0.477550
C 2.464038 0.956301 -0.157865
C 0.361618 -0.441545 -0.160628
C -0.277384 -1.840824 0.068337
C -2.462433 -1.315483 1.243232
C -2.547598 -1.853816 -1.062237
C -3.881118 -1.197844 0.779010
C -3.931972 -1.518792 -0.600353
C -5.036030 -0.840507 1.490035
C -5.139498 -1.492302 -1.313416
C -6.262741 -0.808373 0.776952
C -6.313694 -1.129205 -0.603486
H 1.930893 -2.429788 0.025198
H 4.367794 -0.907947 -1.010817
H 3.141215 -1.731429 -2.014745
H 2.478700 -1.522700 2.284892
H 3.954388 -0.773799 1.617783
H 3.325106 3.268540 -0.965307
H 3.707625 -3.938105 -0.959947
H 5.174912 -3.192148 -1.632939
H 3.306886 -3.809164 1.664665
H 4.515730 -2.979780 2.672052
H 5.846341 -2.374382 0.637179
H 5.582831 -4.135835 0.684023
H 2.028594 5.214790 -1.690540
H 1.350683 3.773923 -2.489173
H 2.975869 3.371400 1.517429
H 3.013613 4.976657 0.748023
H -0.555966 3.731579 -0.837416
H -0.455084 5.322229 -1.611694
H 1.149820 4.891768 2.419811
H 0.463314 3.456440 1.628670
H -0.787494 5.501963 0.901272
H 0.728773 6.271918 0.372458
H 0.686490 1.891845 -0.592047
H -0.008259 -2.523842 -0.757592
H 0.063322 -2.268456 1.027234
H -4.984273 -0.593452 2.554956
H -5.166264 -1.740877 -2.378896
H -7.185286 -0.530339 1.297689
H -7.274790 -1.094100 -1.127518


