%chk=000230713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230713

0 1
O 2.103326 -1.316308 0.482909
N -2.943452 -0.592411 0.466713
N 2.962365 0.755530 0.174458
N -4.074743 -0.327465 -0.298964
N 4.291953 0.293464 -0.008811
C 0.526139 0.551771 0.521213
C 0.064085 1.172699 -0.819347
C -0.560085 -0.467054 0.923830
C -1.458239 0.966968 -0.892068
C -1.798398 -0.065464 0.160044
C 1.886140 -0.119970 0.390529
H 0.585639 1.346621 1.303684
H 0.555449 0.672559 -1.675458
H 0.332552 2.239368 -0.881463
H -0.727447 -0.488350 2.015739
H -0.260048 -1.506219 0.650197
H -1.771899 0.616422 -1.895199
H -2.002901 1.910781 -0.707608
H 2.871243 1.755659 0.005297
H -4.249250 0.658623 -0.502394
H -4.885251 -0.710961 0.197980
H 4.304983 -0.459659 -0.713513
H 4.617240 -0.148506 0.864232


%chk=000230713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230713

0 1
O 2.297155 -1.017645 -0.652101
N -2.891811 -0.344751 0.848865
N 2.947437 0.736409 0.722098
N -4.090641 0.098088 0.325658
N 4.321480 0.374815 0.754526
C 0.561257 0.550367 0.119837
C -0.070740 0.810469 -1.283895
C -0.421163 -0.479890 0.753868
C -1.602770 0.817542 -1.031419
C -1.777742 -0.036835 0.227600
C 1.988170 0.014191 0.018295
H 0.539725 1.487971 0.712656
H 0.209611 -0.030805 -1.943513
H 0.294645 1.743796 -1.746424
H -0.387782 -0.509026 1.855773
H -0.156428 -1.489030 0.377877
H -2.164430 0.420532 -1.902075
H -1.979832 1.847296 -0.850323
H 2.696709 1.560875 1.269835
H -4.171500 0.565622 -0.580793
H -4.922085 -0.217616 0.811347
H 4.719695 0.406402 -0.195257
H 4.430439 -0.570681 1.149565


