%chk=000256859.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256859

0 1
O 0.235947 -1.433574 -2.158860
O -0.289223 2.049939 0.627052
O 5.618566 0.289905 0.731953
N -1.282712 -1.990702 -0.504398
N 0.136257 0.001176 -0.333637
N -2.053626 0.995794 -0.454853
C -0.695354 -4.472082 0.967982
C -0.519149 -3.092889 1.614888
C -0.549560 -4.395614 -0.557249
C -1.457306 -2.055350 0.977913
C -1.477432 -3.327588 -1.155612
C -0.246841 -1.203918 -1.072072
C 1.562776 0.135913 -0.079041
C -0.719820 1.103099 -0.003061
C 2.272469 1.248169 -0.553889
C 2.209651 -0.881441 0.650983
C 3.642980 1.353453 -0.304459
C 3.572790 -0.790942 0.895153
C 4.279088 0.332790 0.413183
C -3.080527 1.961455 -0.194434
C -4.357367 1.683071 -0.728949
C -2.860715 3.131057 0.551596
C -5.399787 2.583102 -0.508405
C -3.920206 4.015758 0.758921
C -5.188829 3.749433 0.234460
C 6.451868 1.391368 0.296869
H -1.687974 -4.886755 1.231274
H 0.048462 -5.179944 1.381503
H -0.709714 -3.151277 2.703014
H 0.538306 -2.753287 1.509594
H -0.771031 -5.378977 -1.013368
H 0.501997 -4.169491 -0.827954
H -2.522199 -2.322630 1.167384
H -1.298333 -1.055409 1.434968
H -1.301069 -3.228180 -2.252011
H -2.545015 -3.604736 -1.015698
H 1.754704 2.037068 -1.102759
H 1.639567 -1.740809 1.025337
H -2.343612 0.180851 -1.005663
H 4.188563 2.218922 -0.667454
H 4.106721 -1.559649 1.449675
H -4.535307 0.782361 -1.310339
H -1.871178 3.353141 0.965357
H -6.386468 2.373042 -0.920690
H -3.750861 4.924611 1.337109
H -6.006565 4.445694 0.401623
H 7.435284 1.093485 0.683699
H 6.462372 1.451945 -0.795150
H 6.117111 2.326046 0.756018


%chk=000256859-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256859

0 1
O 0.622287 -1.560605 -1.954212
O -0.113272 2.057376 0.826829
O 5.994685 0.560531 0.545329
N -1.081263 -1.916354 -0.385768
N 0.389615 -0.021771 -0.162615
N -1.807464 0.890468 -0.309651
C -1.567431 -4.498525 0.920713
C -1.013052 -3.286487 1.704933
C -1.165634 -4.412558 -0.570497
C -1.444782 -1.947414 1.058591
C -1.608629 -3.061269 -1.175952
C 0.013786 -1.213446 -0.903775
C 1.816010 0.189114 0.011074
C -0.509989 1.052568 0.172707
C 2.453518 1.362050 -0.443207
C 2.584436 -0.826926 0.630611
C 3.844098 1.531080 -0.275940
C 3.972512 -0.678716 0.784935
C 4.607929 0.505469 0.335207
C -2.918341 1.762197 -0.133446
C -4.157024 1.337336 -0.690044
C -2.848478 3.005731 0.550786
C -5.308918 2.138655 -0.564028
C -4.012856 3.795563 0.668502
C -5.245695 3.376133 0.118653
C 6.697424 1.763503 0.093362
H -2.674231 -4.514133 1.003615
H -1.200694 -5.442081 1.365711
H -1.365400 -3.303321 2.753903
H 0.093989 -3.334534 1.731198
H -1.626217 -5.236340 -1.147869
H -0.068226 -4.509199 -0.677037
H -2.543286 -1.826355 1.146564
H -0.969216 -1.099646 1.573608
H -1.244123 -2.953313 -2.209552
H -2.716087 -2.995426 -1.172290
H 1.865209 2.152823 -0.915848
H 2.091774 -1.738279 0.988484
H -2.006550 0.012605 -0.800361
H 4.314352 2.453179 -0.629227
H 4.580635 -1.456922 1.255169
H -4.212976 0.381643 -1.228335
H -1.897722 3.330923 0.975898
H -6.254108 1.797270 -1.000705
H -3.950118 4.753007 1.198151
H -6.139767 4.000742 0.217148
H 7.752423 1.595406 0.354961
H 6.601209 1.898424 -1.001636
H 6.323356 2.667230 0.612855


