%chk=000196098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196098

0 1
O 2.792448 -1.761285 -1.372106
O 0.309471 2.135012 -2.425492
O -2.357027 -3.053940 -0.023373
N 1.315858 0.571569 0.837809
N -3.550053 2.340723 0.551803
C 3.660799 0.239581 -0.235612
C 2.949248 -1.138778 -0.080322
C 1.433826 1.415135 -0.400864
C 2.778507 1.141930 -1.128803
C 1.534725 -0.875518 0.519246
C 3.796580 0.889123 1.156960
C 2.391247 1.011164 1.793901
C 3.734108 -2.189822 0.721140
C 0.206570 1.197726 -1.327563
C 5.142237 -2.427825 0.186437
C -1.099318 1.569703 -0.658562
C -2.012273 0.554187 -0.198249
C -1.434797 2.893561 -0.505629
C -3.231360 0.994505 0.399642
C -1.773754 -0.840003 -0.313245
C -2.680905 3.241885 0.113013
C -4.189086 0.035084 0.867932
C -2.722629 -1.735676 0.149258
C -3.946969 -1.309083 0.745220
C -3.278909 -4.081637 0.410713
H 4.657622 0.100182 -0.703383
H 1.409754 2.489624 -0.075728
H 3.297611 2.093131 -1.338497
H 2.625520 0.656970 -2.110507
H 0.743607 -1.226658 -0.183346
H 1.365079 -1.458340 1.447853
H 4.270789 1.881699 1.065865
H 4.467403 0.291298 1.798027
H 2.312366 0.394609 2.712018
H 2.178732 2.054868 2.101666
H 3.165572 -3.144483 0.677634
H 3.771257 -1.895273 1.786962
H 0.176659 0.168949 -1.751130
H 2.410876 -1.141073 -2.022789
H 5.114487 -2.618839 -0.896752
H 5.801343 -1.571074 0.357979
H 5.602604 -3.301061 0.661821
H 1.056137 1.902440 -3.008770
H -0.776533 3.683341 -0.869304
H -0.839038 -1.209841 -0.741000
H -2.947161 4.298631 0.236473
H -5.110612 0.409966 1.321043
H -4.671230 -2.037791 1.097010
H -4.216965 -4.013424 -0.147352
H -3.437267 -4.020509 1.491018
H -2.731458 -4.996366 0.145738


%chk=000196098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196098

0 1
O 3.421594 -1.827576 -1.558503
O 0.332406 2.152744 -2.477560
O -2.701249 -3.059296 -0.007770
N 1.288211 0.199592 0.660521
N -3.540634 2.470931 0.651148
C 3.714800 0.299941 -0.254729
C 3.244814 -1.189379 -0.227870
C 1.360856 1.222767 -0.430608
C 2.749163 1.123945 -1.160008
C 1.722746 -1.149438 0.182870
C 3.655295 0.895174 1.182229
C 2.213078 0.638653 1.753769
C 4.066439 -2.101286 0.711355
C 0.136343 1.161616 -1.394948
C 5.579420 -2.142006 0.413115
C -1.158218 1.554200 -0.696127
C -2.111874 0.592946 -0.192911
C -1.437324 2.913505 -0.519469
C -3.294178 1.114606 0.477301
C -1.974402 -0.820955 -0.320947
C -2.627095 3.326201 0.154853
C -4.267716 0.200613 0.986397
C -2.950322 -1.689212 0.184048
C -4.113026 -1.178702 0.848394
C -3.691910 -4.013418 0.496364
H 4.740329 0.350685 -0.659889
H 1.296769 2.208859 0.068080
H 3.169407 2.129520 -1.342997
H 2.662255 0.637522 -2.158131
H 1.102705 -1.456187 -0.679214
H 1.518881 -1.872652 0.992808
H 3.870956 1.979788 1.131649
H 4.427621 0.442685 1.828984
H 2.221898 -0.154629 2.523217
H 1.796802 1.549298 2.219131
H 3.645577 -3.120507 0.607301
H 3.890620 -1.794394 1.760135
H 0.053902 0.147020 -1.837215
H 2.890262 -1.333504 -2.233309
H 5.751927 -2.410299 -0.642761
H 6.066385 -1.167915 0.606441
H 6.080018 -2.894736 1.049096
H 1.151798 1.918223 -2.982808
H -0.755488 3.663918 -0.928785
H -1.104269 -1.268200 -0.806798
H -2.838772 4.393701 0.290016
H -5.141611 0.630419 1.485282
H -4.876117 -1.854629 1.244872
H -4.676107 -3.871105 0.009221
H -3.806049 -3.936764 1.595142
H -3.291218 -5.003986 0.235421


