%chk=000247313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247313

0 1
O 5.418597 -0.512120 -0.137707
N 0.703975 3.212584 0.848477
N -0.999806 -3.507401 0.288155
C -1.043265 -0.018567 -0.010852
C -2.514291 -0.209581 -0.028581
C -0.177955 -1.056648 0.076309
C -0.597522 1.387014 -0.086188
C 1.294380 -0.926118 0.060215
C -3.119267 -0.972803 -1.039023
C -3.304073 0.388495 0.966214
C 1.935517 -0.308942 -1.034008
C 2.057708 -1.429824 1.122620
C -1.070947 2.234890 -1.100076
C 0.293380 1.921399 0.871732
C 3.317303 -0.190313 -1.063617
C 3.450116 -1.316314 1.117007
C 4.066375 -0.697358 0.021676
C -4.506847 -1.137855 -1.049478
C -4.690049 0.214875 0.951630
C -5.292902 -0.546496 -0.055366
C -0.643490 3.563525 -1.136352
C -0.646028 -2.410567 0.193044
C 0.242678 4.016828 -0.145216
C 6.297927 -0.981932 0.913634
H -2.509058 -1.441416 -1.810413
H -2.835215 0.983146 1.749523
H 1.337985 0.077259 -1.861081
H 1.563412 -1.915919 1.965653
H -1.767557 1.856449 -1.849887
H 0.693812 1.298165 1.681956
H 3.835172 0.282241 -1.895785
H 4.027369 -1.706666 1.948522
H -4.975026 -1.734640 -1.831513
H -5.301841 0.673020 1.727706
H -6.373445 -0.681100 -0.063367
H -0.992129 4.238007 -1.915101
H 0.602914 5.052203 -0.130795
H 6.212732 -2.066669 1.024172
H 6.086734 -0.455553 1.848861
H 7.284428 -0.702898 0.519800


%chk=000247313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247313

0 1
O 5.534687 -0.557180 -0.264477
N 0.603595 3.367144 1.003162
N -0.923242 -3.354135 1.106147
C -1.078947 0.072094 0.080217
C -2.539976 -0.195639 -0.059589
C -0.161007 -0.952956 0.317821
C -0.654571 1.500263 0.006762
C 1.323976 -0.844933 0.199231
C -3.017845 -1.309937 -0.805596
C -3.493915 0.679919 0.535023
C 1.932652 -0.050819 -0.817584
C 2.174214 -1.587370 1.060112
C -1.162344 2.380338 -0.986893
C 0.212550 2.063786 0.989252
C 3.326443 0.021874 -0.943723
C 3.578238 -1.518689 0.951357
C 4.159850 -0.704209 -0.052693
C -4.400951 -1.549985 -0.937613
C -4.876309 0.432980 0.410738
C -5.336910 -0.683376 -0.326672
C -0.761443 3.733048 -0.990130
C -0.627362 -2.258388 0.722206
C 0.128138 4.181896 0.012475
C 6.443765 -1.288141 0.624568
H -2.303362 -1.976885 -1.299458
H -3.145955 1.543049 1.113006
H 1.304314 0.496660 -1.526303
H 1.732953 -2.228110 1.831901
H -1.854030 2.002212 -1.747309
H 0.597344 1.438989 1.802730
H 3.796261 0.624488 -1.726536
H 4.197934 -2.100241 1.639851
H -4.747560 -2.410816 -1.519487
H -5.593903 1.107967 0.889985
H -6.411286 -0.872938 -0.427088
H -1.128117 4.427667 -1.752283
H 0.473509 5.221440 0.041140
H 6.296704 -2.381845 0.536736
H 6.309609 -0.976425 1.678234
H 7.454103 -1.020398 0.283283


