%chk=000259501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259501

0 1
O -7.118584 1.973124 1.161920
O 4.131326 -0.033617 -1.672018
O 7.316004 -2.115724 1.660708
O 5.439229 -1.559100 2.748082
O 8.434747 0.305758 -3.018346
O 7.597729 -1.474680 -1.953475
N -5.480906 -0.316809 1.645413
N -5.390046 -2.199907 -0.548396
N -1.697350 1.781143 0.370530
N -7.338006 -1.113534 -1.495499
N -8.167023 0.999517 -0.640204
N 4.455380 -0.157460 0.579143
N -9.048222 0.101440 -2.661727
C -4.197515 -1.014836 1.343444
C -3.221950 -0.209644 0.463469
C -4.554093 -2.374070 0.681366
C -2.679602 1.032526 1.187911
C -6.318322 -0.168991 0.492965
C -6.360755 -1.159290 -0.459443
C -7.199674 1.026176 0.411927
C -0.407099 1.282065 0.140603
C -8.188461 0.033155 -1.536670
C 5.825410 -0.696727 0.461667
C 6.886609 0.407532 0.258354
C 0.357278 1.851036 -0.912932
C 0.177105 0.293691 0.969598
C 2.256909 0.481427 -0.268234
C 1.668931 1.446301 -1.108956
C 1.495510 -0.093023 0.761109
C 7.011253 0.802143 -1.213217
C 3.654757 0.072861 -0.550730
C 6.112182 -1.472298 1.746878
C 7.662106 -0.270724 -2.031213
H -3.714090 -1.230109 2.334817
H -2.380267 -0.858574 0.147351
H -3.724180 0.082567 -0.481658
H -5.068831 -3.010563 1.437264
H -3.626897 -2.903522 0.366966
H -5.343728 0.587337 2.119755
H -2.211219 0.749206 2.158527
H -3.508399 1.738126 1.434392
H -5.761002 -3.097213 -0.877152
H -2.115994 2.328097 -0.382152
H -7.216244 -1.699969 -2.320733
H 5.877464 -1.419393 -0.417841
H 6.630039 1.303384 0.859260
H 7.869393 0.050254 0.637811
H -0.079951 2.604376 -1.563054
H -0.396474 -0.156110 1.775243
H 4.116650 0.032092 1.523582
H 2.258523 1.869323 -1.927905
H 1.932485 -0.863748 1.400587
H 7.560294 1.762260 -1.320573
H 5.992882 0.989847 -1.656134
H -9.551701 -0.746633 -2.896245
H -9.670014 0.914518 -2.650228
H 7.524429 -2.653629 2.474748
H 8.855672 -0.365184 -3.618052


%chk=000259501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259501

0 1
O -7.039553 2.342122 0.886312
O 4.538378 0.163348 -1.820208
O 7.128512 -2.988644 1.150750
O 5.077863 -2.536100 2.135998
O 7.445050 1.832672 -2.561218
O 7.897569 -0.389848 -2.076436
N -5.362191 0.214904 1.569253
N -5.578140 -2.173547 0.077122
N -1.623808 1.533301 -0.361788
N -7.400574 -1.178732 -1.180016
N -8.199080 1.048227 -0.723849
N 4.569696 -0.485555 0.407188
N -9.192952 -0.244147 -2.418945
C -4.205366 -0.688191 1.534285
C -3.149663 -0.307088 0.456339
C -4.749407 -2.133190 1.303931
C -2.595792 1.126076 0.658856
C -6.321055 0.094532 0.552067
C -6.433802 -1.090469 -0.160186
C -7.192002 1.239846 0.255838
C -0.293848 1.131767 -0.410802
C -8.258585 -0.091360 -1.399061
C 5.912535 -1.067529 0.327206
C 7.061460 -0.065004 0.676922
C 0.531430 1.548860 -1.503622
C 0.297563 0.314989 0.602313
C 2.473739 0.373133 -0.556276
C 1.876864 1.171057 -1.571910
C 1.654189 -0.046909 0.525171
C 7.118627 1.135054 -0.284369
C 3.914590 0.010828 -0.715256
C 5.957262 -2.251243 1.288062
C 7.514637 0.738396 -1.694034
H -3.724090 -0.675188 2.532565
H -2.317036 -1.036797 0.484814
H -3.609693 -0.378346 -0.546700
H -5.335433 -2.428514 2.197967
H -3.909021 -2.839610 1.182536
H -5.332191 1.132406 2.020758
H -2.136035 1.217354 1.664279
H -3.436891 1.842552 0.627665
H -5.820901 -3.093940 -0.291729
H -1.969270 2.099366 -1.136350
H -7.345833 -1.935146 -1.864760
H 6.087891 -1.422106 -0.706233
H 6.913615 0.306135 1.709084
H 8.015545 -0.620070 0.642252
H 0.098009 2.172912 -2.295514
H -0.301473 -0.038273 1.446948
H 4.065371 -0.635118 1.284059
H 2.505063 1.478444 -2.414456
H 2.051110 -0.697971 1.314457
H 7.858112 1.875675 0.078328
H 6.150918 1.661939 -0.339257
H -9.527359 -1.157993 -2.716545
H -9.779601 0.570212 -2.590189
H 7.128432 -3.741079 1.802825
H 7.660314 1.527799 -3.483838


