%chk=000258239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258239

0 1
O -5.949826 0.019866 1.620033
O -3.989239 -2.030379 -0.239332
O 5.475127 -1.667258 0.880166
N -2.710030 1.158709 0.155982
N 0.131935 1.513341 -0.362847
C -2.068097 2.517489 0.175393
C -1.707642 0.121451 0.571121
C -0.875632 2.535313 -0.801217
C -0.497268 0.151998 -0.381136
C -3.905294 1.160014 1.059483
C 1.341470 1.563816 -1.253086
C -4.654552 -0.190495 1.039908
C 2.431597 0.666831 -0.720869
C -4.795605 -0.829310 -0.352371
C 2.804198 0.742386 0.637273
C 3.094137 -0.222833 -1.571136
C 3.824705 -0.055061 1.135663
C 4.130364 -1.036127 -1.094289
C 4.482908 -0.941035 0.255079
C -3.646902 -2.613530 -1.508701
C 6.224666 -2.613260 0.082045
H -1.720652 2.814991 1.189465
H -2.819781 3.265706 -0.152947
H -2.195516 -0.881019 0.495195
H -1.364235 0.249922 1.619658
H -0.396210 3.536785 -0.771959
H -1.239392 2.369208 -1.838610
H -0.813692 -0.161595 -1.399191
H 0.260658 -0.583051 -0.029886
H -3.663310 1.409905 2.116499
H -4.591807 1.959930 0.702173
H 1.717511 2.614699 -1.251641
H 1.108514 1.315704 -2.312255
H -4.199711 -0.928602 1.748632
H -4.412213 -0.186730 -1.163977
H -5.836102 -1.134009 -0.557586
H 2.270055 1.430664 1.297241
H 2.810923 -0.292815 -2.620766
H -6.490660 0.627864 1.081414
H 4.126877 -0.014848 2.179325
H 4.635143 -1.717529 -1.768794
H -3.060790 -3.493702 -1.216676
H -4.548130 -2.913582 -2.050565
H -3.040271 -1.919748 -2.098923
H 6.921625 -3.028461 0.821741
H 5.561785 -3.389720 -0.309923
H 6.763762 -2.094994 -0.715902


%chk=000258239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258239

0 1
O -5.955538 0.066057 1.930370
O -4.116673 -1.814441 -0.549711
O 5.793161 -1.423200 1.048490
N -2.676744 1.025767 0.264553
N 0.110505 1.297078 -0.494495
C -2.042532 2.358594 0.107787
C -1.667274 0.012975 0.675646
C -0.898475 2.295588 -0.916730
C -0.517538 -0.037938 -0.339870
C -3.848403 1.079979 1.163862
C 1.302416 1.274656 -1.375796
C -4.727547 -0.195354 1.148789
C 2.475696 0.518685 -0.761793
C -5.048215 -0.712220 -0.267691
C 2.816589 0.707030 0.605035
C 3.273332 -0.352308 -1.535894
C 3.920191 0.050074 1.175006
C 4.391913 -1.021493 -0.982428
C 4.714674 -0.816500 0.380695
C -4.166274 -2.236278 -1.946272
C 6.636754 -2.335182 0.275099
H -1.630587 2.734020 1.079074
H -2.808377 3.077931 -0.240853
H -2.154852 -0.975524 0.705609
H -1.250532 0.248089 1.687379
H -0.412615 3.287558 -0.987567
H -1.330979 2.048145 -1.920379
H -0.918835 -0.409624 -1.317432
H 0.249521 -0.751937 0.008678
H -3.566879 1.289681 2.226637
H -4.480273 1.930472 0.825463
H 1.592935 2.331441 -1.548667
H 1.072415 0.840117 -2.383322
H -4.248089 -1.021809 1.698736
H -4.919801 0.090846 -1.025862
H -6.093339 -1.091438 -0.287974
H 2.185743 1.363489 1.214163
H 3.021537 -0.520138 -2.590883
H -6.405938 0.867104 1.556537
H 4.187995 0.187206 2.227400
H 4.985963 -1.691262 -1.611695
H -3.440667 -3.058853 -2.048810
H -5.177358 -2.603161 -2.226218
H -3.883605 -1.406209 -2.628258
H 7.400547 -2.690595 0.982483
H 6.055096 -3.196328 -0.108962
H 7.126360 -1.813888 -0.571025


