%chk=000262489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262489

0 1
O -2.695057 -1.960252 -0.317051
O 0.370262 1.980039 0.972056
O 2.731458 -1.405637 0.025457
O -4.900131 1.908510 -1.804655
O -0.468230 3.749113 -0.143500
O 2.396725 -1.235122 2.257998
N -0.385208 -0.360380 0.256497
N -2.868020 3.524175 -1.195456
C -1.490200 0.212112 -0.154208
C -2.701885 -0.591780 -0.511080
C -0.367294 -1.763846 0.406976
C -1.508102 -2.546691 0.140037
C -1.604530 1.651176 -0.312077
C -3.846737 -0.087219 -1.042483
C -1.534712 -3.947985 0.305216
C 0.801580 -2.420498 0.853707
C -2.729782 2.209319 -0.913173
C -3.947282 1.346332 -1.305731
C -0.356067 -4.555571 0.747953
C 0.798925 -3.803509 1.017596
C -0.538515 2.553925 0.140147
C -5.023989 -0.936475 -1.376893
C 2.548200 2.868634 0.358014
C -2.763433 -4.736376 0.017412
C 2.019448 -1.619479 1.177406
C 1.480182 2.813901 1.444207
C 4.665397 -0.768213 -1.162013
C 3.900679 -0.523033 0.131806
C 3.834925 3.525369 0.867954
C 5.904126 0.131956 -1.236299
C 4.902007 3.586353 -0.221609
C 6.620740 -0.007763 -2.575492
H -0.330855 -5.637272 0.888238
H 1.701755 -4.312568 1.362832
H -4.717776 -1.881517 -1.849391
H -5.597084 -1.190640 -0.472330
H -5.713595 -0.422922 -2.066329
H 2.758465 1.831686 -0.002155
H 2.155016 3.415870 -0.523341
H -2.596777 -5.457813 -0.796712
H -3.608654 -4.097596 -0.286076
H -3.092676 -5.306654 0.899089
H 1.095976 3.809584 1.722543
H 1.790701 2.240072 2.337871
H 4.952796 -1.835691 -1.237217
H 3.996749 -0.588024 -2.028926
H 3.498038 0.512427 0.213965
H 4.465753 -0.783280 1.042195
H 3.615967 4.549689 1.231373
H 4.224108 2.968859 1.743770
H 5.608790 1.198540 -1.077219
H 6.600247 -0.114038 -0.410221
H -3.726854 3.875788 -1.606751
H -2.114665 4.196213 -0.980808
H 4.562665 4.168772 -1.086236
H 5.821006 4.053600 0.148844
H 5.168682 2.579638 -0.591205
H 5.973353 0.277366 -3.413247
H 7.511030 0.630209 -2.617436
H 6.948356 -1.038888 -2.753338


%chk=000262489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262489

0 1
O -2.642743 -2.058967 -0.211948
O 0.533170 1.920310 0.886778
O 2.559635 -1.560732 -0.102079
O -4.364362 1.680128 -2.635080
O -0.019411 3.510168 -0.709272
O 2.988188 -2.328978 2.055252
N -0.197464 -0.650216 0.160187
N -2.287070 3.195394 -1.993478
C -1.261273 -0.015187 -0.364744
C -2.508030 -0.746986 -0.689947
C -0.309845 -2.001656 0.495975
C -1.552723 -2.697902 0.406165
C -1.216075 1.399972 -0.698970
C -3.572204 -0.246771 -1.419112
C -1.773440 -4.006237 0.893050
C 0.804875 -2.717750 1.042565
C -2.252226 1.929466 -1.513507
C -3.468238 1.116108 -1.908257
C -0.663088 -4.643611 1.490328
C 0.603792 -4.013506 1.559108
C -0.182322 2.341607 -0.218447
C -4.805326 -1.060385 -1.727755
C 2.845151 2.886726 0.740646
C -3.129666 -4.665762 0.771498
C 2.197860 -2.170760 1.090300
C 1.494544 2.908325 1.467215
C 4.096060 -0.321994 -1.515465
C 3.950680 -1.020850 -0.164469
C 3.849790 3.864755 1.395045
C 5.512172 0.271286 -1.705519
C 5.229932 3.842956 0.703787
C 5.670605 0.990039 -3.062362
H -0.786643 -5.654546 1.892935
H 1.453901 -4.532255 2.012313
H -4.543043 -2.033260 -2.180816
H -5.380888 -1.277978 -0.808636
H -5.450113 -0.497278 -2.420269
H 3.253548 1.858342 0.765005
H 2.693276 3.162677 -0.319582
H -3.428261 -4.772352 -0.287603
H -3.914790 -4.060590 1.260039
H -3.121916 -5.666609 1.233263
H 1.040777 3.915143 1.422460
H 1.591773 2.576173 2.514150
H 3.881101 -1.045600 -2.325098
H 3.336773 0.479417 -1.590683
H 4.098084 -0.330431 0.687116
H 4.658231 -1.863665 -0.046956
H 3.436446 4.893065 1.359540
H 3.970451 3.610587 2.467948
H 5.727750 0.985075 -0.884259
H 6.267136 -0.537142 -1.623783
H -3.112346 3.449320 -2.547120
H -1.488883 3.814266 -1.790532
H 5.141944 4.111557 -0.365769
H 5.927956 4.557524 1.176621
H 5.686881 2.836762 0.762065
H 4.949962 1.824107 -3.154970
H 6.687561 1.406174 -3.181068
H 5.488378 0.295022 -3.903295


