%chk=000243940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243940

0 1
O -0.827037 1.061032 -0.237455
O -0.714025 1.037042 2.033006
O -2.770932 2.920574 2.050916
N 1.537367 2.654573 0.163419
N -0.018218 -2.730773 -3.274348
C 3.921127 1.838835 -0.456986
C 1.451274 1.553144 -0.860944
C 2.858636 0.994830 -1.195767
C 3.709061 1.736325 1.081148
C 3.743063 3.320340 -0.862741
C 2.246839 2.170532 1.392728
C 2.328630 3.783302 -0.437924
C 0.501928 0.442071 -0.350554
C 3.984338 0.353939 1.603747
C 0.312525 -0.674003 -1.350690
C 4.557407 0.116470 2.781781
C 0.871793 -1.973346 -1.101525
C -0.393473 -0.455564 -2.511386
C -1.287377 1.355093 1.020364
C 0.690777 -2.973439 -2.101049
C 1.586266 -2.321002 0.087100
C -0.540106 -1.522373 -3.455281
C -2.628610 2.096487 0.901514
C 1.244505 -4.283444 -1.912285
C 2.103054 -3.581423 0.248907
C 1.935421 -4.572149 -0.764528
C -3.777544 1.125646 0.737387
C -3.686257 0.072874 -0.184143
C -4.950851 1.309168 1.479806
C -4.763867 -0.799969 -0.349979
C -6.025846 0.431878 1.310485
C -5.933350 -0.623506 0.397975
H 4.939069 1.485214 -0.722984
H 0.988979 2.000410 -1.779331
H 2.958815 -0.069102 -0.914270
H 3.031658 1.028717 -2.285221
H 4.405009 2.460441 1.571410
H 4.517584 3.946959 -0.389597
H 3.881618 3.436825 -1.950875
H 1.652423 1.344003 1.843407
H 2.233743 2.986720 2.142886
H 2.383901 4.600552 0.309584
H 1.763067 4.186742 -1.301452
H 0.805484 0.067956 0.660958
H 3.671583 -0.461555 0.947670
H 4.880992 0.890657 3.462541
H 4.744799 -0.878049 3.159675
H -0.849241 0.512500 -2.719247
H 1.698833 -1.568054 0.871564
H -1.103233 -1.354120 -4.382846
H -2.601964 2.837971 0.060014
H 1.093690 -5.023656 -2.700585
H 2.645100 -3.849458 1.155557
H 2.362867 -5.561993 -0.603900
H -2.616868 2.395616 2.878529
H -2.773903 -0.066697 -0.770299
H -5.022818 2.143084 2.180822
H -4.691471 -1.620735 -1.062368
H -6.936872 0.573811 1.889889
H -6.770759 -1.307025 0.268172


%chk=000243940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243940

0 1
O -0.912761 0.968870 -0.218936
O -0.785856 0.998136 2.117428
O -2.802207 2.813931 2.277650
N 1.476782 2.522422 0.250116
N 0.092588 -2.807568 -3.407322
C 3.903420 1.865594 -0.402122
C 1.445988 1.393431 -0.733249
C 2.892391 0.828346 -0.967526
C 3.786321 1.929678 1.158902
C 3.559276 3.273305 -0.967254
C 2.251169 2.156725 1.474675
C 2.144982 3.686309 -0.416025
C 0.430813 0.299826 -0.313365
C 4.335334 0.711854 1.863908
C 0.308900 -0.809367 -1.343028
C 5.327319 0.723655 2.789713
C 0.824048 -2.137339 -1.111088
C -0.298510 -0.539158 -2.575470
C -1.351567 1.313456 1.041537
C 0.693550 -3.105152 -2.189122
C 1.449911 -2.564260 0.108909
C -0.387457 -1.559978 -3.569354
C -2.662969 2.121092 1.005891
C 1.195579 -4.434529 -2.013765
C 1.924201 -3.869794 0.253517
C 1.802257 -4.812892 -0.815503
C -3.869005 1.208190 0.701660
C -3.978459 0.539501 -0.543761
C -4.894133 1.058222 1.664112
C -5.096852 -0.278542 -0.815944
C -6.012061 0.237061 1.390253
C -6.117379 -0.434736 0.151294
H 4.931584 1.578340 -0.685521
H 1.064557 1.825115 -1.679061
H 3.036354 -0.152551 -0.476652
H 3.069545 0.665854 -2.045967
H 4.364134 2.812452 1.499379
H 4.331612 4.004258 -0.663176
H 3.557919 3.238952 -2.073719
H 1.795988 1.259206 1.926963
H 2.127284 2.970204 2.210454
H 2.226567 4.493638 0.333545
H 1.488217 4.051553 -1.225987
H 0.669371 -0.086446 0.690807
H 3.868046 -0.253508 1.606946
H 5.823169 1.656391 3.087797
H 5.671953 -0.194565 3.278481
H -0.721080 0.449770 -2.778014
H 1.546517 -1.870626 0.950826
H -0.864694 -1.347252 -4.533312
H -2.570843 2.890137 0.218098
H 1.077474 -5.128131 -2.851712
H 2.390007 -4.177903 1.195855
H 2.181150 -5.832322 -0.686051
H -2.226376 2.337208 2.938101
H -3.186504 0.647269 -1.292851
H -4.811686 1.604336 2.608392
H -5.170665 -0.794628 -1.779907
H -6.801868 0.128070 2.142297
H -6.984741 -1.070210 -0.060343


