%chk=000228876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228876

0 1
O -3.556073 -0.348574 0.645189
N -0.971625 0.435490 -0.295205
N 2.087137 0.532856 0.371154
C -1.227069 -0.962700 0.185439
C -2.222265 0.995983 -0.909291
C 0.150827 0.469529 -1.296924
C -2.364414 -0.930130 1.216091
C -3.332708 0.987616 0.153992
C 1.420449 -0.050317 -0.712015
C 2.184084 -1.149518 -1.132517
C 3.256043 -0.186560 0.632861
C 3.327413 -1.230329 -0.294941
C 1.633046 1.701178 1.131892
H -0.294485 -1.344604 0.658791
H -1.480870 -1.662879 -0.638903
H -2.557917 0.428535 -1.804162
H -2.020414 2.037890 -1.234549
H 0.288896 1.533897 -1.603739
H -0.079961 -0.099607 -2.227680
H -2.706059 -1.942793 1.493001
H -2.085706 -0.358790 2.118525
H -3.089129 1.647245 1.005202
H -4.317151 1.253023 -0.269297
H 1.951875 -1.808384 -1.942117
H 3.936067 0.070104 1.420394
H 4.105832 -1.961958 -0.364458
H 2.044513 1.695349 2.154322
H 1.943446 2.637522 0.635730
H 0.524816 1.706025 1.211414


%chk=000228876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228876

0 1
O -3.637867 -0.349313 0.651027
N -0.991141 0.365455 -0.309279
N 2.093045 0.544825 0.376542
C -1.305623 -1.023976 0.117738
C -2.209849 1.023019 -0.849264
C 0.148223 0.427358 -1.276092
C -2.421272 -1.000552 1.172666
C -3.318757 1.019861 0.216476
C 1.443700 -0.075550 -0.703373
C 2.232753 -1.170192 -1.096091
C 3.274414 -0.144722 0.658361
C 3.387220 -1.213997 -0.240768
C 1.637088 1.764593 1.056977
H -0.393005 -1.483663 0.538277
H -1.634495 -1.647381 -0.751802
H -2.583954 0.502499 -1.766993
H -1.965648 2.067228 -1.126380
H 0.237268 1.487952 -1.590592
H -0.064485 -0.163928 -2.200283
H -2.731689 -2.021625 1.448818
H -2.067100 -0.459587 2.076892
H -2.993192 1.624603 1.091099
H -4.260286 1.428599 -0.186564
H 1.992475 -1.857062 -1.907228
H 3.930594 0.173548 1.466844
H 4.198241 -1.939765 -0.269406
H 2.025856 1.778741 2.088906
H 1.991688 2.674182 0.535433
H 0.534397 1.763948 1.086258


