%chk=000236755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236755

0 1
O 2.347859 -0.764070 -1.089389
O 1.557728 -0.780270 1.110405
O -2.227228 -2.347646 -0.371652
O -1.852642 -0.046480 -0.200427
N 5.988398 0.967107 0.728397
N -6.246400 -0.105247 0.755661
C 0.052393 -1.507736 -0.681530
C 1.314091 -1.648342 -1.556975
C 0.462826 -1.664686 0.799464
C -0.987672 -2.580509 -1.063064
C -0.584204 -0.114429 -0.881176
C 2.717475 -0.968727 0.289226
C -2.797383 -1.044449 -0.608680
C 3.650986 0.184271 0.639247
C -3.960807 -0.940039 0.370363
C 5.106769 -0.153815 0.297810
C -5.116582 -0.120479 -0.215075
C 7.374215 0.893338 0.433764
C -7.424908 0.608570 0.416539
C 8.034134 -0.337355 0.234952
C -7.793301 0.854895 -0.922541
C 8.120970 2.096606 0.436912
C -8.294580 0.995067 1.465114
C 9.418227 -0.354905 0.056141
C -9.017426 1.465847 -1.198371
C 9.500933 2.051434 0.258647
C -9.511157 1.600875 1.163088
C 10.158097 0.830377 0.064334
C -9.879899 1.843121 -0.165771
H 1.698377 -2.683353 -1.564411
H 1.161412 -1.302262 -2.595688
H -0.337273 -1.306424 1.480223
H 0.745639 -2.698063 1.054123
H -1.178834 -2.601936 -2.150348
H -0.712903 -3.593364 -0.715224
H 0.006394 0.675527 -0.372371
H -0.725547 0.139119 -1.943290
H 3.117704 -1.991034 0.421281
H -3.033504 -0.932760 -1.682950
H 3.313308 1.095237 0.098651
H 3.539701 0.424199 1.721147
H -3.589951 -0.490996 1.318483
H -4.300881 -1.965464 0.643433
H 5.202809 -0.366205 -0.792419
H 5.427561 -1.072102 0.843473
H -5.478926 -0.587739 -1.160813
H -4.769264 0.908411 -0.466139
H 5.569733 1.886343 0.574425
H -5.938230 0.018778 1.722142
H 7.481768 -1.271051 0.235023
H -7.143674 0.561203 -1.740449
H 7.625108 3.050157 0.591675
H -8.023572 0.809133 2.500074
H 9.925758 -1.307984 -0.092261
H -9.301129 1.650472 -2.234413
H 10.074895 2.977982 0.267936
H -10.182056 1.892039 1.971266
H 11.234183 0.805933 -0.077055
H -10.829218 2.319281 -0.390839


%chk=000236755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236755

0 1
O 2.337434 -1.008721 -0.643985
O 1.379819 -0.636778 1.538946
O -2.209545 -2.885973 0.201425
O -2.032254 -0.495270 -0.076139
N 5.869066 1.041837 0.665957
N -6.303444 -0.251922 0.360063
C 0.042838 -1.868471 -0.167095
C 1.372176 -2.084806 -0.931554
C 0.374802 -1.702405 1.339297
C -0.877162 -3.093009 -0.395481
C -0.693991 -0.608967 -0.692482
C 2.601034 -0.932544 0.799387
C -2.835545 -1.682234 -0.357354
C 3.586252 0.201493 1.042599
C -4.194955 -1.518673 0.306451
C 4.943286 -0.048499 0.357774
C -4.973511 -0.310406 -0.247889
C 7.165014 1.131344 0.154243
C -7.243968 0.742381 0.084327
C 7.690612 0.145203 -0.733562
C -6.969225 1.801362 -0.832280
C 7.999552 2.232240 0.518645
C -8.520145 0.711763 0.725967
C 9.004565 0.268769 -1.234688
C -7.944490 2.789239 -1.088413
C 9.307587 2.339485 0.010683
C -9.481056 1.704623 0.459002
C 9.826422 1.359960 -0.872185
C -9.205726 2.755210 -0.451300
H 1.813390 -3.067728 -0.646993
H 1.227646 -2.061360 -2.025135
H -0.510282 -1.385438 1.908994
H 0.762883 -2.660031 1.753089
H -0.984690 -3.283258 -1.488315
H -0.480711 -4.002461 0.087320
H -0.160111 0.310492 -0.413117
H -0.797324 -0.659424 -1.799684
H 2.990931 -1.927880 1.131443
H -2.905739 -1.805990 -1.467610
H 3.131532 1.135639 0.664769
H 3.717738 0.303951 2.136464
H -4.033240 -1.405075 1.394284
H -4.764924 -2.452545 0.140933
H 4.785339 -0.131840 -0.736062
H 5.359999 -1.022959 0.701101
H -5.057881 -0.397493 -1.354886
H -4.400945 0.615602 -0.039500
H 5.559346 1.764878 1.314118
H -6.557966 -0.979212 1.027141
H 7.077420 -0.711017 -1.031651
H -6.000098 1.855282 -1.338083
H 7.611571 3.000706 1.200322
H -8.748484 -0.095826 1.434056
H 9.387944 -0.499880 -1.916516
H -7.712064 3.595046 -1.794994
H 9.927766 3.194492 0.305015
H -10.452818 1.659280 0.964867
H 10.844492 1.447323 -1.265304
H -9.955860 3.525896 -0.656325


