%chk=000258070.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258070

0 1
O 2.389436 -0.262746 -0.308897
O 1.563498 1.850864 -0.620660
N 0.177311 -0.006052 -0.162547
C 3.775074 0.236509 -0.457755
C 4.546341 -0.988047 -0.966992
C 4.310390 0.607695 0.930698
C 5.604861 -1.321260 0.098822
C 5.650283 -0.130439 1.076240
C 1.379089 0.675810 -0.388963
C -1.120861 0.592621 -0.182953
C -2.257163 -0.270596 0.064852
C -3.551323 0.313376 0.049098
C -1.296044 1.940996 -0.426444
C -2.139721 -1.672385 0.322861
C -3.703708 1.712425 -0.205725
C -2.601945 2.496949 -0.436003
C -4.695353 -0.514835 0.290807
C -3.251666 -2.444138 0.551494
C -4.549220 -1.856498 0.535215
H 3.752382 1.086363 -1.167794
H 5.008511 -0.780058 -1.946583
H 3.853737 -1.837702 -1.125827
H 3.593564 0.284212 1.709869
H 4.421076 1.698246 1.049206
H 6.591571 -1.502749 -0.357411
H 5.332824 -2.248462 0.633902
H 5.814553 -0.466418 2.113130
H 6.491356 0.541854 0.830062
H 0.235213 -1.015676 0.019608
H -0.441373 2.600334 -0.614743
H -1.149858 -2.130623 0.337316
H -4.705083 2.137352 -0.212893
H -2.705951 3.565036 -0.631489
H -5.682047 -0.053421 0.275653
H -3.160832 -3.511044 0.747780
H -5.415324 -2.490793 0.719566


%chk=000258070-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258070

0 1
O 2.452725 -0.212327 -0.439718
O 1.603207 1.977098 -0.662262
N 0.228624 0.085028 -0.230706
C 3.846105 0.318399 -0.637859
C 4.700608 -0.890520 -1.057730
C 4.435991 0.805243 0.717290
C 5.123440 -1.533838 0.286309
C 5.433782 -0.303833 1.184045
C 1.426069 0.749373 -0.460311
C -1.080698 0.631281 -0.185125
C -2.183955 -0.274556 0.078858
C -3.526828 0.272809 0.120544
C -1.319132 2.000386 -0.387952
C -2.021085 -1.683767 0.301389
C -3.735417 1.674561 -0.092380
C -2.648267 2.512228 -0.339489
C -4.631951 -0.605130 0.377422
C -3.118050 -2.513410 0.550090
C -4.439465 -1.970761 0.588282
H 3.779675 1.120538 -1.391626
H 5.594492 -0.518665 -1.596090
H 4.150852 -1.566849 -1.733471
H 3.616693 0.953529 1.441686
H 4.933871 1.782971 0.594242
H 5.984016 -2.218069 0.185177
H 4.276962 -2.110631 0.703766
H 5.332913 -0.531826 2.259481
H 6.476133 0.026807 1.014953
H 0.335727 -0.920364 -0.094563
H -0.476308 2.665742 -0.583498
H -1.028588 -2.150349 0.284521
H -4.755934 2.071954 -0.056828
H -2.803630 3.584242 -0.502005
H -5.641033 -0.176923 0.405632
H -2.964847 -3.585077 0.716948
H -5.293098 -2.628591 0.783477


