%chk=000245748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245748

0 1
O 2.695869 1.735340 -1.541626
N -2.135044 0.154993 0.255875
C 0.258933 0.856120 0.122299
C 2.170888 -0.835471 0.034371
C 1.254769 1.998535 0.441741
C 0.799269 -0.488786 0.641413
C 2.665977 1.663871 -0.106175
C 3.170377 0.291160 0.360451
C -1.124601 1.146011 0.755911
C 2.677204 -2.209485 0.555953
C 0.800249 3.342249 -0.133351
C -2.548494 0.477939 -1.150490
C -3.327851 0.122597 1.167577
C 1.694995 -3.330808 0.187836
C 4.065898 -2.547238 -0.004629
C -3.526629 -0.590191 -1.666266
C -4.321391 -0.949391 0.688078
C -4.759146 -0.690862 -0.758907
H 0.135819 0.792034 -0.987068
H 2.066583 -0.903743 -1.075688
H 1.339452 2.090103 1.552085
H 0.059506 -1.282652 0.400932
H 0.864913 -0.473367 1.744429
H 3.389463 2.467438 0.166428
H 3.373477 0.318116 1.446400
H 4.142762 0.087742 -0.130600
H -1.417477 2.201209 0.553077
H -1.047421 1.051763 1.860213
H 2.750618 -2.156793 1.670025
H -0.248177 3.555397 0.104986
H 1.405345 4.168350 0.254906
H 0.907059 3.356850 -1.227645
H -1.630209 0.478845 -1.779320
H -3.005851 1.486355 -1.243037
H -3.840010 1.105674 1.241724
H -2.968582 -0.137774 2.186687
H 0.691277 -3.136412 0.585579
H 2.025351 -4.294117 0.589694
H 1.598569 -3.443735 -0.897236
H 4.825842 -1.835058 0.333457
H 4.389200 -3.543289 0.316937
H 4.072073 -2.541089 -1.100007
H -3.011701 -1.571110 -1.703783
H -3.825765 -0.352480 -2.702658
H -5.197462 -0.971951 1.360482
H -3.843977 -1.947464 0.758392
H 2.122521 1.046480 -1.932276
H -5.352949 0.240567 -0.817411
H -5.424022 -1.502475 -1.106969


%chk=000245748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245748

0 1
O 2.786372 1.803758 -1.562332
N -2.155789 0.242156 0.192857
C 0.271218 0.961024 0.061691
C 2.144609 -0.835613 0.018228
C 1.301063 2.063208 0.450732
C 0.747278 -0.429393 0.551866
C 2.712336 1.681700 -0.084263
C 3.166129 0.279353 0.373433
C -1.149647 1.252927 0.613642
C 2.597300 -2.236049 0.543747
C 0.922311 3.486613 -0.015706
C -2.636942 0.462825 -1.194135
C -3.292895 0.129995 1.140954
C 1.601257 -3.354721 0.147002
C 4.017200 -2.617732 0.053332
C -3.541796 -0.695006 -1.661849
C -4.219678 -1.042182 0.755887
C -4.732729 -0.884105 -0.694107
H 0.207454 0.938452 -1.050330
H 2.083328 -0.923361 -1.093728
H 1.380546 2.064894 1.561759
H -0.025802 -1.164679 0.271052
H 0.786656 -0.414897 1.664401
H 3.441137 2.440912 0.254518
H 3.308389 0.291217 1.474667
H 4.150636 0.077758 -0.084954
H -1.473597 2.280669 0.318948
H -1.096394 1.237683 1.721500
H 2.622631 -2.176813 1.654651
H 0.001113 3.854807 0.468978
H 1.734499 4.198126 0.225270
H 0.781763 3.512430 -1.111028
H -1.763404 0.551978 -1.865142
H -3.207545 1.428502 -1.267197
H -3.896600 1.077470 1.169371
H -2.884010 -0.029265 2.156389
H 0.597998 -3.198360 0.578977
H 1.965544 -4.339125 0.495419
H 1.493138 -3.407779 -0.954314
H 4.796156 -1.942087 0.447288
H 4.274155 -3.643872 0.375932
H 4.070900 -2.590598 -1.052848
H -2.940721 -1.624499 -1.695980
H -3.901883 -0.489594 -2.688585
H -5.067055 -1.092027 1.466918
H -3.649448 -1.987394 0.844842
H 2.266973 1.060473 -1.962359
H -5.398446 0.002287 -0.753324
H -5.338210 -1.762072 -0.989273


