%chk=000276843.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276843

0 1
O -7.700068 3.003337 -0.449639
O 7.378503 3.512320 0.258352
O -5.478866 4.256895 0.391241
O 5.085130 4.542198 -0.686095
O 2.432335 -4.871219 0.457791
O -2.234148 -5.035570 0.092704
O 3.464616 -3.062131 1.023137
O -3.377622 -3.352980 -0.627959
N 2.475397 -3.666381 0.645271
N -2.352950 -3.857381 -0.201244
C -1.219318 -1.587640 -0.088687
C 1.201188 -1.492062 0.331843
C -0.030384 -0.865890 0.091112
C 1.231159 -2.910090 0.399866
C -1.159601 -3.005086 -0.028562
C 0.057786 -3.652969 0.217057
C -2.475234 -0.877382 -0.341529
C 2.409094 -0.684131 0.516037
C -4.174656 0.854810 0.147834
C 3.997258 1.100638 -0.132372
C -2.897459 0.167193 0.387577
C 2.766671 0.315008 -0.305465
C -4.248086 2.245304 0.382920
C 3.983579 2.466035 -0.492434
C -5.304806 0.155119 -0.288530
C 5.167975 0.515934 0.362354
C -5.450875 2.905523 0.160632
C 5.141705 3.218151 -0.334152
C -6.599090 2.186055 -0.287443
C 6.331686 2.615967 0.173916
C -6.524392 0.816273 -0.506898
C 6.342825 1.269685 0.516608
C -8.929642 2.380992 -0.896422
C 8.643529 3.011713 0.756232
H -0.064951 0.226823 0.041723
H 0.092765 -4.758519 0.266972
H -3.075979 -1.278904 -1.172771
H 3.031574 -0.970393 1.378389
H -2.306791 0.562047 1.221857
H 2.154631 0.595001 -1.170244
H -3.383577 2.811593 0.726501
H 3.086084 2.943313 -0.883354
H -5.251056 -0.923106 -0.454296
H 5.181813 -0.544102 0.625159
H -7.388388 0.248440 -0.842837
H 7.239900 0.790164 0.900137
H -6.385165 4.632079 0.204842
H 5.965434 4.989072 -0.536934
H -9.612549 3.239980 -0.934970
H -8.792037 1.941949 -1.889049
H -9.267064 1.641717 -0.163844
H 9.029098 2.232029 0.092529
H 8.530929 2.656353 1.784835
H 9.270790 3.912024 0.715106


%chk=000276843-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276843

0 1
O -7.345659 3.357600 -0.367329
O 7.003577 3.833328 0.132912
O -5.065813 4.380177 0.600609
O 4.653524 4.626785 -0.882779
O 2.416061 -5.381357 0.251759
O -2.180595 -5.528839 0.329235
O 3.557737 -3.570140 1.013827
O -3.434133 -3.865902 -0.580418
N 2.480508 -4.123726 0.549121
N -2.325557 -4.307006 -0.071096
C -1.253718 -1.957170 -0.007727
C 1.257017 -1.862345 0.300649
C -0.019553 -1.265135 0.121187
C 1.260195 -3.305177 0.368023
C -1.162425 -3.397965 0.041890
C 0.071453 -4.040978 0.233228
C -2.511415 -1.218310 -0.158607
C 2.464291 -1.033763 0.383361
C -3.925973 0.878086 -0.018955
C 3.742441 1.127525 0.049924
C -2.686096 0.114494 0.139705
C 2.553032 0.276359 -0.030408
C -3.926517 2.254425 0.360703
C 3.652844 2.463445 -0.445492
C -5.129704 0.312871 -0.534635
C 4.983693 0.684563 0.595304
C -5.081320 3.035233 0.226606
C 4.757524 3.322781 -0.395345
C -6.275068 2.451799 -0.293349
C 5.990612 2.860933 0.154117
C -6.294967 1.091785 -0.671171
C 6.099084 1.542687 0.647583
C -8.626390 2.869652 -0.890631
C 8.319854 3.469056 0.668360
H -0.055406 -0.174417 0.077841
H 0.107356 -5.131651 0.277239
H -3.358872 -1.803838 -0.516651
H 3.347561 -1.530797 0.785850
H -1.848486 0.689978 0.559711
H 1.679494 0.757812 -0.493306
H -3.023951 2.725468 0.764286
H 2.718873 2.841030 -0.875019
H -5.162207 -0.739749 -0.830359
H 5.085213 -0.335077 0.978203
H -7.206948 0.636261 -1.068287
H 7.041440 1.179922 1.068793
H -5.966864 4.766950 0.437506
H 5.529767 5.081824 -0.767857
H -9.302608 3.735746 -0.859548
H -8.514644 2.515669 -1.932519
H -9.025518 2.056976 -0.255422
H 8.757392 2.629803 0.096126
H 8.247089 3.200298 1.738761
H 8.941473 4.367820 0.549294


