%chk=000221577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221577

0 1
O -0.000913 -0.001834 -1.325411
N -0.917784 -0.757338 0.671551
N 0.917839 0.758353 0.668978
C -2.121730 -1.400058 0.027623
C 2.121195 1.399579 0.022419
C -3.762660 0.746707 -0.030123
C 3.762096 -0.747310 -0.031703
C -2.978297 -0.376081 -0.756593
C 2.977133 0.373783 -0.760133
C -2.899329 -2.105473 1.151719
C -1.598286 -2.460123 -0.963936
C 2.899780 2.107631 1.144168
C 1.596854 2.457341 -0.971134
C -4.232907 1.742821 -1.119134
C -2.898613 1.515563 0.984719
C -5.012988 0.192853 0.682180
C 4.231191 -1.746110 -1.118744
C 2.899011 -1.513651 0.985872
C 5.013174 -0.191799 0.678024
C -0.000326 -0.000403 -0.099343
H -2.295645 0.106769 -1.497448
H -3.701275 -0.946539 -1.372431
H 2.293899 -0.110771 -1.499332
H 3.699602 0.942802 -1.377900
H -1.056600 -0.487249 1.645232
H 1.057792 0.490207 1.643045
H -2.260104 -2.787970 1.722473
H -3.715077 -2.704961 0.730232
H -3.358411 -1.394568 1.851994
H -2.413732 -3.019196 -1.427478
H -1.011879 -1.988381 -1.769641
H -0.934053 -3.176506 -0.469977
H 2.261036 2.791487 1.713845
H 3.715174 2.706101 0.720548
H 3.359430 1.398405 1.845748
H 2.411876 3.015457 -1.436576
H 1.009859 1.983730 -1.775315
H 0.932931 3.174769 -0.478272
H -4.854358 1.251930 -1.873545
H -3.382557 2.197857 -1.638082
H -4.823716 2.556343 -0.688431
H -1.961402 1.858286 0.530347
H -2.652083 0.908077 1.858150
H -3.420963 2.405508 1.352437
H -5.639436 1.002254 1.069862
H -5.630553 -0.403486 0.004517
H -4.742985 -0.445270 1.532374
H 4.851922 -1.257105 -1.874978
H 3.380297 -2.202347 -1.635746
H 4.822381 -2.558622 -0.686659
H 1.961406 -1.857548 0.533211
H 2.653296 -0.903986 1.858014
H 3.421746 -2.402657 1.355320
H 5.639982 -1.000299 1.067012
H 5.630091 0.402867 -0.001695
H 4.744070 0.448362 1.526950


%chk=000221577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221577

0 1
O -0.001285 -0.002771 -1.297369
N -0.984474 -0.632714 0.745742
N 0.983106 0.632605 0.743455
C -2.162441 -1.371014 0.191217
C 2.160533 1.369700 0.186215
C -3.902368 0.739745 -0.172313
C 3.902571 -0.739921 -0.174077
C -3.053304 -0.458747 -0.723964
C 3.050614 0.455559 -0.727870
C -2.908534 -1.956947 1.415060
C -1.645869 -2.550996 -0.681757
C 2.907833 1.958280 1.408047
C 1.643125 2.547802 -0.688822
C -4.284568 1.601193 -1.413252
C -3.121096 1.646798 0.816353
C -5.226293 0.267617 0.494021
C 4.284510 -1.604190 -1.413155
C 3.124427 -1.645534 0.818344
C 5.226611 -0.263495 0.488913
C -0.000939 -0.001034 -0.020266
H -2.360425 -0.062448 -1.490591
H -3.753580 -1.135242 -1.257303
H 2.356750 0.055855 -1.491830
H 3.748956 1.131253 -1.264758
H -1.023225 -0.417869 1.743708
H 1.022686 0.420153 1.741900
H -2.267026 -2.692455 1.935614
H -3.828423 -2.471355 1.089917
H -3.198504 -1.174355 2.140081
H -2.494071 -3.169027 -1.029414
H -1.098144 -2.166347 -1.557387
H -0.963657 -3.189485 -0.091187
H 2.266861 2.694965 1.927583
H 3.827463 2.471891 1.080906
H 3.198419 1.177237 2.134486
H 2.491011 3.164999 -1.038718
H 1.094431 2.161300 -1.563027
H 0.961580 3.187634 -0.098938
H -4.810587 0.990913 -2.172068
H -3.382923 2.029371 -1.889080
H -4.952371 2.435201 -1.124656
H -2.161681 1.981797 0.382547
H -2.905432 1.131865 1.770858
H -3.721890 2.546028 1.054849
H -5.851492 1.140516 0.764035
H -5.812472 -0.363148 -0.201578
H -5.054617 -0.314392 1.415335
H 4.808303 -0.995049 -2.174427
H 3.382978 -2.035365 -1.886486
H 4.954273 -2.436146 -1.123182
H 2.164856 -1.983278 0.387038
H 2.909513 -1.128351 1.771794
H 3.727085 -2.543125 1.058319
H 5.853658 -1.134479 0.760813
H 5.810753 0.366061 -0.209485
H 5.055190 0.321142 1.408616


