%chk=000256605.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256605

0 1
O -0.478322 -2.161806 0.071581
O 1.774853 1.220389 -0.160453
O -2.451426 0.886082 1.738182
O -1.413679 1.336124 -1.552079
O -3.151144 -0.972438 2.593502
O -0.313726 3.096975 -2.154148
O 0.313111 -3.318946 1.853426
O 0.891450 0.174144 1.638903
N -2.716239 -0.304124 1.676748
N -0.705203 2.303601 -1.320891
C -2.513164 -0.984213 0.323257
C -0.302263 2.525495 0.134028
C -3.877446 -1.072152 -0.383861
C -0.865983 3.875782 0.611084
C -1.858558 -2.354892 0.505634
C 1.224027 2.494149 0.263646
C -4.383014 0.298741 -0.814284
C -2.386098 3.860974 0.702532
C 1.837964 -2.355157 0.207246
C 2.320232 -1.041872 0.076569
C 0.531640 -2.674373 0.861375
C 1.569855 0.110462 0.643781
C 2.588106 -3.430235 -0.284407
C 3.545296 -0.812461 -0.566318
C 3.814214 -3.193991 -0.916097
C 4.289284 -1.887982 -1.061186
H -1.819422 -0.323105 -0.291512
H -0.759749 1.687574 0.751462
H -3.768863 -1.720349 -1.280286
H -4.620652 -1.574856 0.269247
H -0.440728 4.104813 1.611742
H -0.529567 4.690902 -0.064321
H -2.261352 -3.119394 -0.183001
H -1.891777 -2.738990 1.548441
H 1.532848 2.687833 1.308702
H 1.731808 3.188592 -0.438261
H -3.652444 0.812950 -1.460922
H -4.575219 0.960928 0.038906
H -5.317567 0.216832 -1.381790
H -2.747231 3.031930 1.334279
H -2.864393 3.753799 -0.277763
H -2.763956 4.789677 1.147591
H 2.218771 -4.452210 -0.171297
H 3.909518 0.212409 -0.683638
H 4.397437 -4.034389 -1.296846
H 5.241269 -1.704121 -1.561601


%chk=000256605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256605

0 1
O -0.410594 -1.851762 0.046002
O 1.816383 1.204035 -0.252961
O -2.414980 0.896253 1.798733
O -1.419359 1.541867 -1.823042
O -2.908856 -1.164739 2.622947
O 0.014451 3.247139 -2.290053
O 0.166718 -3.963853 0.841259
O 0.974244 0.127729 1.641111
N -2.636012 -0.364351 1.657943
N -0.567948 2.444710 -1.474114
C -2.656186 -0.932034 0.222868
C -0.257426 2.596514 0.023483
C -4.137581 -1.165644 -0.173544
C -0.795232 3.965628 0.507455
C -1.844404 -2.223559 0.172808
C 1.257584 2.488636 0.238537
C -5.006539 0.106433 -0.105204
C -2.316502 4.132610 0.311605
C 1.924427 -2.431728 0.128673
C 2.402223 -1.090017 0.054624
C 0.510004 -2.835213 0.416947
C 1.628491 0.082420 0.576747
C 2.803076 -3.499591 -0.183861
C 3.728351 -0.851572 -0.386994
C 4.128997 -3.252685 -0.594572
C 4.587525 -1.921964 -0.714142
H -2.204171 -0.146238 -0.406206
H -0.798681 1.776671 0.518496
H -4.122875 -1.547640 -1.212254
H -4.563246 -1.962928 0.465648
H -0.554475 4.033534 1.585617
H -0.245162 4.774476 -0.010579
H -2.121506 -2.810126 -0.721567
H -1.997626 -2.842361 1.073304
H 1.459486 2.588271 1.320075
H 1.795172 3.253360 -0.342937
H -4.572725 0.916328 -0.719353
H -5.110062 0.479795 0.929081
H -6.020742 -0.106574 -0.485968
H -2.868163 3.320109 0.815729
H -2.593967 4.130351 -0.758038
H -2.650242 5.094164 0.739625
H 2.417294 -4.521130 -0.109860
H 4.081428 0.181036 -0.456098
H 4.792444 -4.090628 -0.831733
H 5.609462 -1.716631 -1.049337


