%chk=000223232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223232

0 1
O 3.375211 0.365977 0.762802
N 0.964022 2.588200 1.827428
N 3.386472 -2.428023 0.777974
C -1.049893 -0.013791 -2.774934
C -2.373968 0.425103 -2.112690
C -2.735575 -0.457451 -0.911551
C 0.120386 0.065956 -1.815070
C -4.074802 -0.039360 -0.290251
C -0.763273 0.837406 -4.020364
C 0.931113 -1.054900 -1.614656
C 0.406989 1.256576 -1.124737
C -4.420349 -0.905378 0.928525
C 2.036653 -1.008012 -0.752228
C 1.473385 1.332882 -0.231764
C 2.300878 0.193363 -0.064327
C 1.757918 2.590174 0.550653
C 2.926921 -2.220082 -0.638538
C -5.762199 -0.493296 1.550123
C -6.108690 -1.350326 2.765797
C 1.550357 3.569649 2.790108
C -0.473417 2.904672 1.580696
C 4.463411 -3.460854 0.831316
C 2.248715 -2.805747 1.667184
H -1.173137 -1.077155 -3.106806
H -3.184808 0.388500 -2.865215
H -2.307821 1.483033 -1.796025
H -1.930159 -0.398895 -0.151094
H -2.777350 -1.519133 -1.220382
H -4.880403 -0.113263 -1.045635
H -4.035592 1.026526 0.005892
H 0.180940 0.538130 -4.490219
H -1.555415 0.732483 -4.768231
H -0.676652 1.901391 -3.774616
H 0.708369 -1.981332 -2.142376
H -0.222785 2.131465 -1.285024
H -3.616390 -0.827581 1.685971
H -4.454051 -1.972416 0.636715
H 2.843668 2.605655 0.819438
H 1.574514 3.486669 -0.079592
H 2.417470 -3.116508 -1.056304
H 3.831024 -2.049675 -1.271212
H -5.728518 0.574183 1.843469
H -6.567649 -0.573951 0.794302
H -7.066484 -1.048338 3.203538
H -5.347557 -1.263945 3.549719
H -6.187536 -2.411076 2.502318
H 3.795107 -0.525728 1.023739
H 1.560372 4.612984 2.445380
H 0.986932 3.521744 3.735385
H 2.584962 3.264981 3.019794
H -1.011045 2.913925 2.541686
H -0.660321 3.859271 1.069905
H -0.913174 2.090533 0.979537
H 5.322585 -3.123378 0.229726
H 4.162575 -4.458058 0.477887
H 4.815064 -3.558967 1.871588
H 1.478973 -2.013491 1.622703
H 2.604505 -2.852445 2.708434
H 1.768120 -3.762170 1.418211


%chk=000223232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223232

0 1
O 3.400798 0.217412 0.796089
N 1.313306 2.733962 1.785106
N 3.350261 -2.363290 0.886667
C -1.110714 0.075534 -2.816786
C -2.445401 0.462562 -2.113393
C -2.876919 -0.521189 -1.004169
C 0.081138 0.105914 -1.855777
C -4.173159 -0.091434 -0.280561
C -0.864392 0.978879 -4.054501
C 0.833694 -1.060371 -1.582930
C 0.472462 1.306219 -1.205436
C -4.629914 -1.095240 0.801740
C 1.948237 -1.040840 -0.714592
C 1.551005 1.362519 -0.296345
C 2.305449 0.178191 -0.061574
C 1.919123 2.645042 0.427515
C 2.828533 -2.267327 -0.523497
C -5.910381 -0.653137 1.546678
C -6.369035 -1.668667 2.615457
C 1.998316 3.725403 2.634289
C -0.146779 2.922599 1.759551
C 4.501223 -3.292712 0.996276
C 2.274357 -2.686305 1.863136
H -1.221638 -0.968283 -3.180131
H -3.246317 0.524225 -2.879642
H -2.345969 1.481329 -1.683926
H -2.058064 -0.620587 -0.263547
H -3.021460 -1.529711 -1.446901
H -4.987122 0.039784 -1.024829
H -4.016290 0.904105 0.185827
H 0.064163 0.690636 -4.579512
H -1.706094 0.905949 -4.769159
H -0.765378 2.040023 -3.757827
H 0.554574 -2.005032 -2.070790
H -0.083460 2.233226 -1.400933
H -3.810664 -1.239583 1.537172
H -4.804094 -2.086835 0.333267
H 3.014617 2.674435 0.562035
H 1.624721 3.525368 -0.203180
H 2.284535 -3.194269 -0.812503
H 3.722737 -2.190545 -1.175379
H -5.730866 0.332285 2.023320
H -6.724744 -0.497125 0.809501
H -7.283154 -1.326829 3.135221
H -5.583066 -1.822014 3.379199
H -6.587647 -2.652670 2.158836
H 3.628085 -0.794963 1.004992
H 1.913642 4.778048 2.255809
H 1.571332 3.699396 3.653650
H 3.070650 3.471121 2.704944
H -0.539113 2.916095 2.792750
H -0.460570 3.886535 1.276016
H -0.622635 2.094416 1.206541
H 5.315256 -2.956367 0.331130
H 4.227803 -4.336800 0.722716
H 4.877356 -3.292939 2.033687
H 1.456531 -1.954800 1.758562
H 2.676420 -2.616380 2.888214
H 1.863308 -3.708259 1.706025


