%chk=000245889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245889

0 1
O 2.985657 -2.419793 0.459891
O 2.970370 2.209440 0.693986
O -2.986001 -2.360942 -0.703073
O -2.970959 2.268212 -0.467397
N 3.341341 -0.112510 0.655554
N -3.341811 -0.045723 -0.664169
C 4.815801 -0.147775 0.928585
C -4.816238 -0.053242 -0.939542
C 1.154822 -0.797714 0.185890
C 1.154976 0.613248 0.257590
C -1.155279 -0.774838 -0.266145
C -1.155502 0.636136 -0.194687
C 5.582521 0.565534 -0.199812
C -5.583131 0.542111 0.255186
C 2.557007 -1.297585 0.435621
C 2.559134 1.088733 0.557653
C -2.557430 -1.246936 -0.565238
C -2.559698 1.139474 -0.445024
C -0.000210 -1.530278 -0.077873
C -0.000280 1.368137 0.069160
C 5.091760 0.498081 2.286946
C -5.092088 0.726811 -2.225564
C 5.541782 -0.214130 -1.519521
C -5.542490 -0.367164 1.489177
C 6.346163 0.488726 -2.610085
C -6.347020 0.221630 2.645212
H 5.103764 -1.236029 0.960229
H -5.104126 -1.132716 -1.081240
H 5.181604 1.590243 -0.346734
H 6.634709 0.711043 0.116029
H -6.635294 0.718791 -0.044423
H -5.182298 1.546699 0.505152
H -0.000180 -2.621951 -0.133269
H -0.000311 2.459871 0.124565
H 6.154330 0.431720 2.547530
H 4.818570 1.563945 2.294630
H 4.528047 0.012159 3.091985
H -6.154634 0.687164 -2.491625
H -4.818920 1.787981 -2.125276
H -4.528293 0.324892 -3.075609
H 5.934413 -1.239428 -1.366878
H 4.493033 -0.340213 -1.853010
H -5.935053 -1.371754 1.233466
H -4.493769 -0.526322 1.808302
H 6.305774 -0.069260 -3.552716
H 7.402322 0.589050 -2.335011
H 5.963419 1.496512 -2.809727
H -5.964343 1.204036 2.945911
H -7.403153 0.349255 2.381592
H -6.306707 -0.428930 3.526506


%chk=000245889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245889

0 1
O 2.993834 -2.509586 0.470439
O 2.981913 2.202028 0.690136
O -3.002825 -2.449756 -0.699371
O -2.979057 2.262640 -0.495287
N 3.351052 -0.158566 0.644859
N -3.353839 -0.091564 -0.663645
C 4.811023 -0.208059 0.936788
C -4.814836 -0.110754 -0.954585
C 1.164190 -0.850662 0.186318
C 1.165981 0.566702 0.250765
C -1.168735 -0.827427 -0.269496
C -1.166844 0.590044 -0.207293
C 5.630938 0.535834 -0.148781
C -5.629579 0.518145 0.205270
C 2.563627 -1.331116 0.438172
C 2.567079 1.024659 0.548539
C -2.569602 -1.279975 -0.562138
C -2.566953 1.076300 -0.461559
C -0.003208 -1.592304 -0.075219
C 0.000523 1.331169 0.055245
C 5.092894 0.318861 2.361305
C -5.101290 0.559757 -2.316452
C 5.423832 -0.007790 -1.579775
C -5.420500 -0.174444 1.570258
C 6.321992 0.705913 -2.612807
C -6.312737 0.428873 2.676176
H 5.055511 -1.287397 0.890920
H -5.059888 -1.189009 -1.018448
H 5.392949 1.615715 -0.113120
H 6.699152 0.433530 0.129392
H -6.698932 0.449832 -0.078761
H -5.386928 1.594793 0.282804
H -0.004654 -2.684940 -0.123713
H 0.001946 2.423850 0.103842
H 6.167261 0.205457 2.591344
H 4.831184 1.387233 2.447256
H 4.519618 -0.249696 3.114714
H -6.176516 0.470928 -2.553000
H -4.838796 1.630967 -2.292579
H -4.531078 0.071361 -3.126331
H 5.628880 -1.097445 -1.595182
H 4.361984 0.113508 -1.873627
H -5.629466 -1.258850 1.470617
H -4.357265 -0.088389 1.871510
H 6.156860 0.309446 -3.631106
H 7.392799 0.573366 -2.368175
H 6.114777 1.792265 -2.634657
H -6.103590 1.506800 2.810172
H -7.384853 0.323897 2.424120
H -6.143730 -0.071744 3.646849


