%chk=000199273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199273

0 1
O -2.862846 1.963698 -0.825142
N 3.103190 -0.251992 0.930822
N -2.488511 -0.225541 -0.119922
C 3.866577 1.038233 0.915470
C 3.927425 -1.221273 0.128766
C 4.739069 1.056986 -0.356543
C 4.811499 -0.403253 -0.838149
C 1.709638 -0.204767 0.571007
C -3.300275 -1.458071 0.117686
C -4.761127 -1.063786 -0.194152
C -4.726597 0.397759 -0.657314
C -1.075849 -0.218972 0.112296
C -3.279699 0.854992 -0.563468
C 1.025741 0.986019 0.256048
C 0.972583 -1.405201 0.654838
C -0.346932 0.984432 0.032785
C -0.400963 -1.415675 0.424903
H 4.499200 1.033644 1.830260
H 3.207883 1.924949 0.986069
H 3.304457 -1.957762 -0.411235
H 4.550962 -1.784485 0.855567
H 5.740753 1.464779 -0.146514
H 4.293855 1.703918 -1.131582
H 4.448267 -0.492737 -1.875902
H 5.848206 -0.776858 -0.836361
H -3.184133 -1.793806 1.169613
H -2.952182 -2.277784 -0.545471
H -5.399706 -1.182850 0.698895
H -5.189434 -1.719745 -0.971892
H -5.366006 1.052364 -0.035296
H -5.088938 0.519312 -1.695754
H 1.571596 1.928186 0.186472
H 1.476197 -2.333771 0.920168
H -0.855654 1.924166 -0.213562
H -0.932847 -2.360806 0.494993


%chk=000199273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199273

0 1
O -3.247870 2.123110 0.004400
N 3.049485 -0.004916 0.014508
N -2.656707 -0.189191 -0.014310
C 3.832849 1.245644 0.088579
C 3.903486 -1.207892 -0.046997
C 5.278513 0.788691 -0.224518
C 5.314714 -0.671631 0.294165
C 1.657366 -0.045648 0.002517
C -3.358364 -1.494192 -0.110604
C -4.837213 -1.159825 0.215553
C -4.973449 0.333222 -0.157712
C -1.225648 -0.123336 -0.013407
C -3.549091 0.894671 -0.037908
C 0.875215 1.138665 0.178532
C 0.949710 -1.271106 -0.188603
C -0.528767 1.104489 0.171063
C -0.457071 -1.304653 -0.196368
H 3.763002 1.708093 1.097713
H 3.466520 1.990379 -0.645079
H 3.879578 -1.671361 -1.058246
H 3.565754 -1.974636 0.678436
H 6.034370 1.434711 0.253004
H 5.449950 0.807417 -1.316481
H 6.115398 -1.273541 -0.167855
H 5.464985 -0.681138 1.389371
H -2.929923 -2.215797 0.607469
H -3.244349 -1.915518 -1.130332
H -5.020824 -1.296865 1.295631
H -5.534177 -1.813854 -0.333869
H -5.656798 0.901021 0.493801
H -5.316046 0.476091 -1.200649
H 1.370332 2.102116 0.335931
H 1.498832 -2.204382 -0.347892
H -1.101494 2.024667 0.301642
H -0.946868 -2.269204 -0.363082


