%chk=000205857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205857

0 1
O 1.740366 -1.854686 1.863486
N -0.516357 0.265778 0.131591
N -5.332221 -2.584222 1.015350
C -2.725202 1.341743 -0.489571
C -1.486939 1.354877 0.454485
C -3.505621 0.003383 -0.403184
C 0.480259 0.015264 1.228248
C -2.271714 1.540451 -1.946089
C -3.640084 2.512492 -0.082405
C 1.458297 -1.071567 0.682175
C -3.981679 -0.351359 1.012660
C 1.206828 1.296195 1.635448
C 2.719169 -0.529018 0.049778
C 2.645849 0.013987 -1.242295
C 3.945569 -0.559783 0.724990
C -4.733714 -1.595641 1.013753
C 3.799551 0.501838 -1.859456
C 5.098532 -0.072959 0.101590
C 5.028485 0.453905 -1.191322
H -0.947944 2.320829 0.319018
H -1.823693 1.331045 1.512782
H -4.379586 0.053892 -1.084429
H -2.876493 -0.818200 -0.802050
H -0.003585 -0.424299 2.145892
H -1.034659 -0.604863 -0.052677
H -1.752790 2.497362 -2.073619
H -3.113295 1.526976 -2.644386
H -1.561289 0.763445 -2.255861
H -3.972567 2.438894 0.957327
H -4.537098 2.551671 -0.710741
H -3.131369 3.476618 -0.195051
H 0.942225 -1.752727 -0.038248
H -4.616942 0.469663 1.423194
H -3.114714 -0.437956 1.708961
H 2.076077 1.059027 2.264338
H 1.579080 1.844721 0.758984
H 0.563391 1.971389 2.206581
H 2.359022 -2.581734 1.652866
H 1.682201 0.070269 -1.751389
H 3.994841 -0.951207 1.741410
H 3.742044 0.921913 -2.862080
H 6.051349 -0.101687 0.627144
H 5.926719 0.830381 -1.676297


%chk=000205857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205857

0 1
O 2.193399 -1.334816 2.542519
N -0.495951 0.316596 0.641557
N -4.881126 -2.959032 -0.530169
C -2.512997 1.486424 -0.351919
C -1.560449 1.315973 0.872850
C -3.145658 0.128165 -0.791588
C 0.539365 0.191034 1.703727
C -1.705276 2.041288 -1.554933
C -3.620357 2.500426 0.037103
C 1.510021 -0.959818 1.291432
C -3.952474 -0.608031 0.318321
C 1.275023 1.517290 1.960986
C 2.499161 -0.619391 0.179217
C 2.131705 -0.787609 -1.179496
C 3.797417 -0.135520 0.482757
C -4.470721 -1.907613 -0.141562
C 3.038563 -0.471409 -2.215221
C 4.707805 0.176672 -0.552099
C 4.331586 0.011165 -1.904872
H -1.082619 2.295528 1.052929
H -2.168637 1.094051 1.788460
H -3.819978 0.315523 -1.649077
H -2.351944 -0.545214 -1.170091
H 0.097652 -0.149384 2.673530
H -0.903338 -0.610013 0.444237
H -1.322719 3.054968 -1.332102
H -2.335684 2.108189 -2.461718
H -0.836516 1.393949 -1.766272
H -4.198101 2.174870 0.922982
H -4.329013 2.649272 -0.798966
H -3.176122 3.483981 0.278932
H 0.878774 -1.813847 0.948987
H -4.807759 0.011316 0.646674
H -3.323434 -0.781437 1.212720
H 2.139705 1.329220 2.619898
H 1.632341 1.958436 1.014445
H 0.623444 2.248128 2.471338
H 2.881287 -2.016913 2.333501
H 1.131289 -1.161012 -1.426764
H 4.086106 0.000362 1.530822
H 2.740367 -0.605652 -3.261189
H 5.708236 0.548992 -0.303356
H 5.037928 0.250996 -2.707628


