%chk=000202122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202122

0 1
O -1.075140 2.657054 1.599147
O 0.090364 -1.342662 0.698324
O 4.662705 -1.933902 0.501788
N -3.456080 0.320532 0.101724
N 0.573918 1.460083 -0.582207
N 3.869629 0.096312 -0.237298
N 2.365673 -1.645432 0.571354
N 2.707909 2.178279 -1.005470
C -3.209508 -1.067644 0.619741
C -4.918726 0.556094 -0.147342
C -3.716917 -2.103561 -0.395797
C -5.441145 -0.456793 -1.179551
C -2.926477 1.348598 1.051872
C -5.203600 -1.896468 -0.708137
C -1.386787 1.402157 0.965782
C -0.893573 1.431308 -0.498917
C 1.439707 0.420485 -0.196793
C 2.754315 0.893652 -0.483581
C 1.370724 2.494934 -1.049564
C 1.167741 -0.878496 0.371450
C 3.701551 -1.218998 0.291575
C 5.230924 0.604391 -0.535589
C 2.228963 -3.028132 1.108781
H -3.679065 -1.244578 1.610134
H -2.107693 -1.195889 0.752319
H -5.035353 1.586336 -0.547856
H -5.525528 0.494887 0.781613
H -3.219980 1.183558 2.111317
H -3.326792 2.352338 0.778262
H -3.539969 -3.121373 -0.002402
H -3.123992 -2.024484 -1.328839
H -4.928159 -0.293505 -2.148407
H -6.516727 -0.279986 -1.360888
H -5.533997 -2.611494 -1.483892
H -5.815451 -2.110914 0.188252
H -0.906844 0.570235 1.531283
H -1.320138 2.314202 -1.025877
H -1.284509 0.520364 -1.029996
H 0.989819 3.442688 -1.413618
H -0.132731 2.691838 1.854293
H 5.984782 -0.178585 -0.326304
H 5.451608 1.490739 0.085721
H 5.303885 0.899012 -1.598159
H 1.263234 -3.132963 1.637220
H 3.051663 -3.252022 1.811828
H 2.263969 -3.763795 0.287301


%chk=000202122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202122

0 1
O -1.035058 2.735542 1.493513
O 0.130413 -1.567621 0.364556
O 4.829057 -1.942602 0.470986
N -3.528852 0.337152 0.079708
N 0.621789 1.379613 -0.581977
N 3.936055 0.137965 -0.147535
N 2.495553 -1.726898 0.393415
N 2.748038 2.211868 -0.790490
C -3.333552 -0.995286 0.722088
C -4.962847 0.589262 -0.228228
C -3.874411 -2.130053 -0.170999
C -5.532662 -0.496799 -1.161487
C -2.949297 1.441553 0.877865
C -5.357852 -1.898718 -0.534949
C -1.408145 1.446800 0.880320
C -0.854567 1.337168 -0.557597
C 1.504549 0.339287 -0.238232
C 2.793108 0.885089 -0.385774
C 1.415158 2.471428 -0.893320
C 1.263572 -1.017536 0.179795
C 3.820604 -1.214694 0.249181
C 5.272913 0.741546 -0.316229
C 2.412804 -3.144560 0.816033
H -3.851806 -1.025127 1.717399
H -2.255458 -1.157283 0.895102
H -5.044469 1.584056 -0.705755
H -5.576070 0.619802 0.711793
H -3.294048 1.434049 1.941502
H -3.277632 2.403716 0.439722
H -3.744108 -3.095062 0.354909
H -3.266406 -2.173637 -1.095229
H -4.994604 -0.454770 -2.128484
H -6.600869 -0.285148 -1.361150
H -5.714693 -2.682095 -1.230137
H -5.979638 -1.970974 0.381741
H -1.008324 0.604005 1.478528
H -1.226903 2.186044 -1.157074
H -1.211860 0.398696 -1.008480
H 0.994631 3.426175 -1.198803
H -0.088864 2.701968 1.783913
H 6.019147 -0.032333 -0.085740
H 5.388689 1.599813 0.366466
H 5.397567 1.097448 -1.352401
H 1.346690 -3.402034 0.894343
H 2.917073 -3.279860 1.786676
H 2.913788 -3.788555 0.075111


