%chk=000245921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245921

0 1
O 0.648793 2.637555 1.861963
O -0.461134 -1.338108 1.607046
O -3.510885 2.345880 -0.823855
O 4.645147 -1.950663 -1.706429
O 3.175385 -2.753247 -0.338244
N 3.722967 -1.828853 -0.915423
C 0.611208 1.241652 1.513652
C -0.729906 0.900436 0.887856
C 1.735314 1.028037 0.521840
C -2.411977 -0.927550 0.311958
C -1.141740 -0.542886 0.992884
C -3.217361 0.038566 -0.324714
C -1.495468 1.810398 0.280402
C -2.816499 1.480094 -0.338963
C 2.193896 -0.271653 0.278269
C 2.316954 2.118854 -0.142064
C -2.801959 -2.269540 0.310641
C -4.403291 -0.347754 -0.952308
C 3.234080 -0.458094 -0.641975
C -3.993055 -2.652894 -0.323986
C 3.358829 1.915017 -1.052824
C -4.790098 -1.696756 -0.951755
C 3.825004 0.625471 -1.311201
H 0.776168 0.636950 2.442447
H -1.193335 2.863333 0.200073
H 1.749711 -1.137668 0.792793
H 1.952248 3.130635 0.068312
H -2.171399 -3.015294 0.806586
H -5.024953 0.408616 -1.442389
H 0.078972 2.807496 2.641657
H 3.809345 2.767579 -1.562984
H -4.290926 -3.702668 -0.323484
H -5.717130 -1.992577 -1.445502
H 4.639196 0.448738 -2.022381


%chk=000245921-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245921

0 1
O 0.654871 2.600608 1.955161
O -0.455550 -1.439463 1.553573
O -3.485555 2.393972 -0.938338
O 4.869873 -1.896217 -1.726366
O 3.442153 -2.763465 -0.175222
N 3.922843 -1.777938 -0.855844
C 0.622143 1.199162 1.524367
C -0.724594 0.852509 0.875743
C 1.773025 1.009435 0.529531
C -2.464896 -0.940519 0.298235
C -1.170611 -0.577569 0.944879
C -3.259323 0.053282 -0.345330
C -1.505782 1.798438 0.265916
C -2.802906 1.476880 -0.378297
C 2.310615 -0.277704 0.311569
C 2.292822 2.119697 -0.181823
C -2.905548 -2.286188 0.324518
C -4.485176 -0.308902 -0.951297
C 3.353910 -0.424424 -0.626491
C -4.127739 -2.640525 -0.284053
C 3.341370 1.944848 -1.113209
C -4.918320 -1.651632 -0.921599
C 3.883128 0.665504 -1.350726
H 0.773858 0.509743 2.378860
H -1.188230 2.846771 0.227447
H 1.934309 -1.154160 0.848147
H 1.887735 3.114175 0.023554
H -2.277500 -3.031988 0.821967
H -5.077122 0.473613 -1.436789
H -0.012136 2.735984 2.674585
H 3.739557 2.810424 -1.652211
H -4.465712 -3.681786 -0.265040
H -5.866582 -1.930987 -1.392599
H 4.693172 0.497525 -2.064920


