%chk=000254396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254396

0 1
O 4.213013 0.094835 0.639899
N 0.125344 -2.646238 -0.259095
N 1.345771 -3.001261 -0.196093
N 3.656920 -2.532456 0.004280
N 3.108591 1.469325 -0.764883
C 0.697200 -0.297326 -0.076408
C -0.266662 -1.325732 -0.181201
C 0.267269 1.116276 0.022603
C 2.057602 -0.652150 -0.053722
C -1.725149 -1.085428 -0.212871
C 2.381404 -2.043458 -0.062169
C -0.424830 1.718343 -1.039847
C 0.542716 1.849409 1.187841
C -2.488755 -1.570258 -1.286730
C -2.349653 -0.388038 0.833743
C 3.183736 0.317715 0.004536
C -0.827334 3.052342 -0.938552
C 0.131578 3.181095 1.283157
C -0.549852 3.784294 0.220731
C -3.867350 -1.344620 -1.316594
C -3.728410 -0.167528 0.795407
C -4.488278 -0.641933 -0.279108
H -0.661159 1.139514 -1.933507
H 1.074141 1.378613 2.015801
H -2.006580 -2.133527 -2.085191
H -1.760308 -0.022376 1.672958
H -1.367263 3.519280 -1.761865
H 0.341502 3.749390 2.188983
H -0.869590 4.822776 0.298588
H -4.459283 -1.722639 -2.148593
H -4.212578 0.372731 1.607170
H -5.562205 -0.468954 -0.304793
H 3.809463 -3.529705 0.060394
H 4.423760 -1.918140 0.283775
H 2.278637 1.752905 -1.258327
H 3.850595 2.152023 -0.701915


%chk=000254396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254396

0 1
O 4.413347 -0.107052 0.424150
N 0.094625 -2.591574 -0.529763
N 1.378418 -2.989547 -0.448215
N 3.609476 -2.598449 0.058366
N 3.157087 1.541192 -0.573436
C 0.720093 -0.253894 -0.097511
C -0.269527 -1.278028 -0.283588
C 0.301249 1.180040 0.025464
C 2.089446 -0.644968 -0.053299
C -1.748169 -1.067753 -0.267896
C 2.369580 -2.061651 -0.122741
C -0.356403 1.835636 -1.049797
C 0.548148 1.903166 1.224079
C -2.553287 -1.802426 -1.181427
C -2.390802 -0.214320 0.669018
C 3.276621 0.283602 -0.026372
C -0.754556 3.186206 -0.929717
C 0.139511 3.248647 1.346536
C -0.510849 3.896405 0.269029
C -3.957046 -1.666101 -1.177079
C -3.796257 -0.082622 0.675777
C -4.586381 -0.801249 -0.250791
H -0.565872 1.281373 -1.971050
H 1.054611 1.404445 2.058116
H -2.060824 -2.489199 -1.876562
H -1.798640 0.334975 1.406856
H -1.261735 3.677961 -1.766863
H 0.329125 3.790720 2.279501
H -0.826692 4.941056 0.364256
H -4.560054 -2.236897 -1.892249
H -4.273642 0.575871 1.410232
H -5.677157 -0.695517 -0.245412
H 3.712961 -3.603413 -0.076533
H 4.372188 -1.968395 0.338356
H 2.270457 1.913676 -0.911350
H 3.984952 2.137184 -0.559683


