%chk=000286681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286681

0 1
O 2.847364 0.649290 0.434135
O 3.113899 -2.250382 1.824081
O 4.314145 -2.168446 -0.377142
O 3.371765 1.656926 -2.460746
O -3.523917 2.395393 1.430944
N 0.600908 0.227450 1.020332
N -0.034607 -1.148842 -0.956209
N -2.308624 -0.769703 -1.748014
N -3.786424 0.773035 -0.753107
N -1.908203 3.379751 2.638415
N -4.828518 0.444468 -1.652057
C 2.007323 -0.178339 1.243052
C 2.286945 -1.656324 0.841884
C 3.025264 -1.557586 -0.524785
C 3.316223 -0.060370 -0.753562
C 2.619482 0.539862 -1.980470
C -0.280483 -0.194004 0.006736
C -0.050960 1.242416 1.756999
C -1.507686 0.533049 0.150278
C -1.330063 1.442534 1.253019
C -2.549848 0.192266 -0.773301
C -2.334296 2.400340 1.744155
C -1.087976 -1.374404 -1.787993
H 2.302678 0.055105 2.295817
H 1.378376 -2.298340 0.824326
H 2.459404 -2.039771 -1.347406
H 4.414104 0.149967 -0.766370
H 1.583817 0.852547 -1.753282
H 2.621305 -0.152361 -2.845029
H 0.442211 1.726304 2.584451
H 4.070632 -2.000056 1.672047
H 4.226628 -3.150083 -0.388052
H 3.345410 2.387546 -1.804434
H -0.945538 -2.128902 -2.580738
H -4.067573 1.463653 -0.013844
H -0.951382 3.526727 2.895844
H -2.576530 4.058750 2.975918
H -5.035342 -0.565794 -1.605694
H -4.522217 0.615229 -2.622698


%chk=000286681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286681

0 1
O 2.735601 0.812737 0.012018
O 3.342282 -1.641684 1.992800
O 4.080950 -2.513356 -0.389529
O 3.817006 1.593768 -2.510880
O -3.714718 2.367028 1.462594
N 0.538642 0.437471 0.932914
N -0.067723 -0.965347 -1.006516
N -2.393324 -0.718939 -1.726979
N -3.914067 0.740645 -0.688717
N -2.155186 3.199915 2.932932
N -4.961224 0.213913 -1.496705
C 1.968669 0.120378 1.061278
C 2.330776 -1.381843 0.973013
C 2.954581 -1.562014 -0.448326
C 3.510311 -0.169605 -0.805910
C 3.330493 0.233760 -2.271824
C -0.359397 -0.035455 -0.039781
C -0.124685 1.370416 1.730342
C -1.610109 0.609128 0.168821
C -1.455749 1.506226 1.302270
C -2.655631 0.230854 -0.751078
C -2.503253 2.367677 1.887596
C -1.142813 -1.246693 -1.799529
H 2.294318 0.500627 2.045381
H 1.450063 -2.030395 1.129497
H 2.168782 -1.879760 -1.153550
H 4.573817 -0.098349 -0.508878
H 2.259619 0.132312 -2.547404
H 3.942481 -0.417662 -2.919048
H 0.411951 1.855828 2.544366
H 4.054396 -2.181543 1.542287
H 3.785131 -3.404762 -0.698688
H 3.350438 2.188373 -1.868171
H -0.981765 -1.987740 -2.589057
H -4.145386 1.370043 0.112150
H -1.209817 3.268894 3.301022
H -2.888142 3.782069 3.336118
H -4.573639 -0.588621 -2.019901
H -5.325981 0.940607 -2.129429


