%chk=000218495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218495

0 1
O -5.389505 0.723257 -0.498643
N 1.962508 -2.074317 0.196287
N -0.028505 1.141016 0.747207
N 5.076394 1.174008 0.352725
C 1.796027 -0.693475 0.758722
C 0.779070 -2.959273 0.453452
C -0.674809 -0.966122 0.130860
C -0.539541 -2.412666 -0.163464
C 0.401130 -0.174521 0.534569
C -1.834177 -0.122177 0.073021
C -1.407779 1.195784 0.461719
C 2.857697 0.204399 0.161251
C 1.096711 -4.352672 -0.094562
C -3.184521 -0.346739 -0.266828
C -2.303471 2.286377 0.516324
C 2.678353 0.843408 -1.073248
C -4.038951 0.740388 -0.204371
C 4.081804 0.388614 0.836726
C -3.618611 2.054225 0.181904
C 3.697190 1.651660 -1.582321
C 4.881001 1.794861 -0.839821
C -5.972417 -0.538768 -0.898837
H 1.956041 -0.785001 1.873035
H 0.651646 -3.017807 1.566796
H -1.402833 -2.978296 0.238655
H -0.559658 -2.577618 -1.259888
H 2.150325 -2.021444 -0.811635
H 0.545484 1.909109 1.031493
H 2.048087 -4.723383 0.312825
H 0.317424 -5.071324 0.180068
H 1.189875 -4.364326 -1.185765
H -3.506278 -1.337937 -0.558677
H -1.959263 3.273140 0.814236
H 1.748258 0.711761 -1.630278
H 4.284674 -0.109921 1.793149
H -4.365616 2.845710 0.201130
H 3.579737 2.158332 -2.537311
H 5.707868 2.419291 -1.197463
H -5.512848 -0.892584 -1.826067
H -7.021889 -0.261130 -1.060505
H -5.880531 -1.272437 -0.092867


%chk=000218495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218495

0 1
O -5.495447 0.706037 -0.505548
N 1.941366 -2.048404 0.201334
N -0.065771 1.155269 0.760367
N 5.215952 0.993142 0.259508
C 1.791645 -0.662124 0.749490
C 0.778382 -2.947860 0.459657
C -0.696511 -0.943264 0.109416
C -0.551611 -2.419871 -0.170470
C 0.379694 -0.154908 0.522779
C -1.863963 -0.085033 0.068670
C -1.440356 1.226346 0.482397
C 2.881921 0.227209 0.152090
C 1.122145 -4.364039 -0.030422
C -3.226771 -0.310030 -0.272984
C -2.341874 2.311034 0.556021
C 2.685916 0.972244 -1.037427
C -4.120074 0.778198 -0.195951
C 4.166322 0.272861 0.752023
C -3.684083 2.076035 0.213617
C 3.760631 1.721073 -1.567152
C 5.000948 1.703474 -0.888806
C -6.014005 -0.590782 -0.933728
H 1.976644 -0.729204 1.844662
H 0.642715 -2.968139 1.560398
H -1.406884 -2.986387 0.250868
H -0.547873 -2.626747 -1.262551
H 2.168488 -2.015233 -0.805201
H 0.524109 1.933240 1.048258
H 2.023742 -4.742902 0.479948
H 0.285557 -5.060380 0.161482
H 1.317912 -4.365998 -1.120747
H -3.556686 -1.304560 -0.587234
H -2.019209 3.309476 0.870913
H 1.707895 0.966169 -1.532408
H 4.364641 -0.298764 1.667139
H -4.428078 2.877089 0.253139
H 3.644429 2.307433 -2.484194
H 5.858217 2.273295 -1.265176
H -5.521003 -0.936809 -1.864247
H -7.085798 -0.428075 -1.121833
H -5.887178 -1.358708 -0.144492


