%chk=000259601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259601

0 1
O 0.979333 1.725267 -1.461435
O -0.693552 3.295326 2.780615
O 0.627507 -1.142211 1.871680
O -0.400002 4.848896 1.195545
O -2.686864 -3.215971 -1.648990
N 1.541111 -1.194702 -0.212018
N 0.319664 1.576525 0.723481
N -0.662789 -3.613812 1.660537
C 3.378182 0.298919 -0.991488
C 2.183118 0.130218 -0.045848
C 4.584750 -0.579411 -0.599514
C 1.114160 1.206569 -0.367457
C -0.807048 2.505441 0.517840
C 5.616256 -0.574655 -1.734398
C 5.221543 -0.094898 0.708047
C -2.183998 1.863289 0.780394
C -2.357647 0.523936 0.120977
C 0.784522 -1.748067 0.818878
C -0.602161 3.693124 1.467480
C 0.190179 -3.129726 0.552712
C -1.931942 0.299329 -1.201646
C -2.962112 -0.517644 0.840867
C -2.065506 -0.955889 -1.786927
C -3.119721 -1.783425 0.271682
C -2.648159 -1.987669 -1.031308
H 3.678474 1.368858 -1.005079
H 3.071457 0.094734 -2.038213
H 2.523589 0.237283 1.024999
H 4.231241 -1.630244 -0.450275
H -0.761602 2.912396 -0.540734
H 5.196440 -0.964451 -2.667598
H 6.484586 -1.194184 -1.483042
H 5.990184 0.435049 -1.940086
H 4.508685 -0.121087 1.539998
H 6.073436 -0.723484 0.991100
H 5.592772 0.932714 0.624407
H 1.622601 -1.631203 -1.125562
H 0.282531 0.991326 1.573029
H -2.342311 1.771698 1.879844
H -2.980396 2.553523 0.424207
H -1.470805 1.109556 -1.775244
H -3.310477 -0.347046 1.860322
H -0.424508 -3.116163 -0.382779
H 1.003247 -3.871016 0.371465
H -1.738139 -1.148861 -2.806445
H -3.595091 -2.585881 0.827876
H -0.534022 4.041355 3.420035
H -0.107851 -3.717690 2.509537
H -1.379780 -2.919298 1.875062
H -3.094586 -3.910044 -1.071532


%chk=000259601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259601

0 1
O 1.069024 1.879054 -1.363092
O 0.516873 3.835400 2.026628
O 0.878326 -0.968562 2.214833
O -1.731720 4.347001 1.792462
O -3.336562 -3.094527 -2.197031
N 1.725118 -1.125096 0.058260
N 0.304871 1.447198 0.800641
N -0.725464 -3.349496 1.706327
C 3.454559 0.349727 -0.967565
C 2.304759 0.242070 0.049578
C 4.671194 -0.569564 -0.682223
C 1.181303 1.276817 -0.249454
C -0.860211 2.316970 0.686668
C 5.689744 -0.454722 -1.841505
C 5.346949 -0.242495 0.671241
C -2.199307 1.587557 0.996466
C -2.464637 0.346843 0.151550
C 1.058592 -1.645257 1.143783
C -0.769513 3.585230 1.547437
C 0.539229 -3.096230 1.007536
C -2.014919 0.213753 -1.189821
C -3.227533 -0.713552 0.701529
C -2.316538 -0.932097 -1.953031
C -3.542008 -1.869420 -0.049143
C -3.079816 -1.976630 -1.383283
H 3.788358 1.404847 -0.985257
H 3.053829 0.151613 -1.981810
H 2.667805 0.431219 1.076843
H 4.318337 -1.622267 -0.640351
H -0.865067 2.677468 -0.363697
H 5.229514 -0.717108 -2.812644
H 6.553638 -1.125710 -1.681112
H 6.075746 0.579842 -1.921260
H 4.671452 -0.413774 1.529196
H 6.241224 -0.874380 0.823642
H 5.672578 0.815427 0.698376
H 1.746090 -1.650826 -0.819001
H 0.435477 0.848833 1.634502
H -2.216228 1.310498 2.068518
H -3.007945 2.331437 0.861878
H -1.410371 1.001135 -1.654463
H -3.586599 -0.638116 1.735277
H 0.421820 -3.357380 -0.061662
H 1.315672 -3.771024 1.417888
H -1.971161 -1.031876 -2.986365
H -4.144369 -2.671136 0.398118
H 0.504887 4.688574 2.541477
H -0.649113 -3.168495 2.714232
H -1.510216 -2.820678 1.304201
H -3.869174 -3.771494 -1.710321


