%chk=000251888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251888

0 1
O 0.002249 1.747261 0.071535
O 3.213334 0.943743 0.912219
O -3.208973 0.963700 0.928050
O 2.848806 0.630657 -1.301472
O -2.857988 0.647327 -1.287361
N -0.008973 -2.294529 0.435898
C 1.159806 -1.663235 -0.275492
C -1.177428 -1.656232 -0.269755
C 0.757366 -1.553115 -1.769644
C -0.781677 -1.548544 -1.765867
C 1.287178 -0.260256 0.386037
C -1.293129 -0.252529 0.392377
C -0.000928 0.554837 0.233730
C -0.013590 -3.779533 0.359782
C 2.489540 0.477306 -0.160613
C -2.493724 0.492273 -0.148316
C 4.389817 1.744055 0.612750
C -4.381947 1.771271 0.634347
H 2.097796 -2.237941 -0.127901
H -2.118118 -2.225293 -0.117545
H 1.160101 -2.398993 -2.348895
H 1.176134 -0.642979 -2.242561
H -1.197367 -0.635971 -2.236785
H -1.192255 -2.392061 -2.343063
H 1.432067 -0.415900 1.497420
H -1.433473 -0.407338 1.504460
H -0.016584 -4.192507 -0.660357
H -0.900414 -4.161061 0.893064
H 0.872806 -4.166290 0.890020
H 5.005119 1.246958 -0.144119
H 4.894368 1.801716 1.582693
H 4.061755 2.728785 0.263755
H -4.049509 2.753811 0.283328
H -4.881128 1.832407 1.606852
H -5.004238 1.277797 -0.119172


%chk=000251888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251888

0 1
O 0.001312 1.600749 -0.236055
O 2.917467 1.213316 1.033713
O -2.910454 1.231671 1.047723
O 3.133657 0.313983 -1.102528
O -3.144792 0.331631 -1.086315
N -0.009901 -2.478038 0.329679
C 1.152706 -1.793364 -0.319635
C -1.171252 -1.786208 -0.314285
C 0.770793 -1.650028 -1.832393
C -0.795345 -1.645273 -1.828775
C 1.288867 -0.407832 0.396367
C -1.295628 -0.399929 0.402435
C -0.001452 0.412142 0.158023
C -0.014959 -3.950643 0.159956
C 2.526361 0.379276 -0.010142
C -2.530158 0.394944 0.002081
C 4.050544 2.125721 0.737955
C -4.039825 2.150589 0.758091
H 2.078236 -2.371119 -0.161259
H -2.099577 -2.358289 -0.151698
H 1.166727 -2.507697 -2.403480
H 1.207339 -0.740212 -2.273030
H -1.228361 -0.732868 -2.267538
H -1.199085 -2.500556 -2.397985
H 1.343042 -0.608536 1.483219
H -1.345748 -0.600469 1.489524
H -0.018879 -4.292629 -0.901160
H -0.906765 -4.367975 0.659250
H 0.876848 -4.373579 0.654500
H 4.953785 1.544429 0.487450
H 4.191588 2.704662 1.660904
H 3.790623 2.781729 -0.109095
H -3.780591 2.805217 -0.090240
H -4.172613 2.730239 1.681822
H -4.947711 1.574543 0.512322


