%chk=000205837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205837

0 1
O 0.813957 0.051775 -0.772396
N 4.331227 -0.028855 0.377715
C -0.780307 -1.514627 0.335934
C -2.091712 -1.500007 1.180803
C -0.328521 -0.038786 0.095109
C -2.531066 -0.028789 1.456506
C -0.084929 0.646273 1.466484
C -1.403284 0.665068 2.266312
C -0.947912 -2.264446 -0.993130
C -3.224654 -2.293837 0.510621
C -1.445853 0.709371 -0.612473
C -2.648407 0.701277 0.137483
C -1.495801 -3.678918 -0.772623
C -2.757094 -3.698945 0.110964
C -1.379890 1.344856 -1.844441
C -3.783213 1.332938 -0.357759
C 2.048276 -0.554002 -0.335317
C -2.528923 1.983085 -2.340085
C -3.715072 1.975776 -1.605312
C 2.996098 0.581802 0.087772
C 5.163297 0.832050 1.284176
C 5.160673 -0.200924 -0.862776
C 6.117119 1.676541 0.410151
C 6.122830 1.003186 -0.974352
H 0.008635 -2.031016 0.930456
H -1.867325 -1.978768 2.163267
H -3.481440 -0.011942 2.027122
H 0.284111 1.673365 1.296199
H 0.705018 0.120044 2.026899
H -1.273269 0.161556 3.239378
H -1.697799 1.705847 2.491856
H 0.023057 -2.302439 -1.522501
H -1.625886 -1.697573 -1.663166
H -3.587023 -1.751720 -0.386195
H -4.091154 -2.364722 1.192879
H -0.714263 -4.312847 -0.313010
H -1.717474 -4.138727 -1.753970
H -3.577132 -4.219346 -0.418154
H -2.559540 -4.295266 1.021848
H -0.448083 1.342620 -2.410028
H -4.711733 1.333999 0.205932
H 1.890947 -1.289511 0.468656
H 2.403413 -1.075826 -1.243052
H -2.489204 2.484894 -3.304268
H -4.599731 2.472507 -1.998942
H 3.015415 1.366214 -0.698260
H 2.602751 1.076649 0.999991
H 5.738260 0.137365 1.933823
H 4.544137 1.457225 1.950963
H 4.537505 -0.318982 -1.767085
H 5.728575 -1.146823 -0.733202
H 7.127993 1.712456 0.846247
H 5.770304 2.720512 0.339550
H 5.789577 1.705325 -1.756146
H 7.135121 0.676162 -1.260252


%chk=000205837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205837

0 1
O 0.828509 0.069076 -0.789809
N 4.417821 -0.031083 0.381078
C -0.829312 -1.511672 0.301192
C -2.158097 -1.509954 1.163045
C -0.356568 -0.026495 0.080706
C -2.591362 -0.032838 1.451014
C -0.124451 0.630760 1.481493
C -1.461345 0.636135 2.296299
C -1.001384 -2.281893 -1.028021
C -3.277745 -2.343133 0.496192
C -1.480683 0.738292 -0.599948
C -2.694242 0.724513 0.140943
C -1.509499 -3.723806 -0.782763
C -2.777693 -3.762510 0.137130
C -1.396899 1.416640 -1.830956
C -3.829719 1.394663 -0.359471
C 2.083211 -0.523831 -0.298185
C -2.539800 2.088579 -2.329396
C -3.751837 2.077611 -1.598004
C 3.104910 0.581000 0.039101
C 5.276019 0.792381 1.278806
C 5.291585 -0.278348 -0.806535
C 6.032137 1.793143 0.348634
C 6.209848 0.991624 -0.981073
H -0.038986 -2.025811 0.887568
H -1.936439 -1.978525 2.144989
H -3.548872 -0.020176 2.005484
H 0.246725 1.659052 1.322902
H 0.659096 0.068869 2.024580
H -1.342530 0.082957 3.247475
H -1.752906 1.670739 2.551576
H -0.037603 -2.305055 -1.569968
H -1.708822 -1.737758 -1.681894
H -3.638855 -1.826038 -0.413500
H -4.143666 -2.411379 1.185126
H -0.696075 -4.319787 -0.323204
H -1.728473 -4.199424 -1.757701
H -3.591498 -4.330476 -0.352299
H -2.544366 -4.302277 1.076665
H -0.451437 1.411067 -2.379834
H -4.767039 1.386217 0.210155
H 1.929321 -1.165777 0.588858
H 2.474136 -1.162719 -1.113570
H -2.486614 2.620128 -3.286638
H -4.631715 2.599843 -1.991478
H 3.154465 1.291086 -0.819099
H 2.741205 1.152084 0.912208
H 6.004856 0.123592 1.778293
H 4.671293 1.279729 2.062146
H 4.676197 -0.484594 -1.699223
H 5.915127 -1.171542 -0.613710
H 6.995228 2.120743 0.778170
H 5.414346 2.694068 0.180182
H 5.909553 1.594686 -1.855569
H 7.261546 0.690715 -1.133965


