%chk=000187907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187907

0 1
O 2.940337 -1.658244 -1.497072
O 3.396120 0.554547 -0.084972
O 2.813137 -0.549607 1.821569
N 2.116939 0.325411 -0.608839
C -1.242825 -0.526377 -0.228166
C -2.151659 -0.901221 0.812423
C -2.979632 0.286355 1.244475
C -1.444913 0.902714 -0.512396
C -2.469886 1.395070 0.355963
C -0.379591 -1.477636 -0.767573
C -2.195659 -2.195418 1.300084
C 0.600634 -1.151336 -1.854920
C -0.838000 1.757130 -1.422430
C -2.868157 2.720051 0.309786
C -0.427200 -2.795588 -0.262691
C -1.316958 -3.145832 0.748936
C -1.244541 3.102085 -1.466287
C -2.241716 3.576382 -0.614598
C 1.995273 -0.935048 -1.295936
C 3.672890 0.000811 1.183621
C 5.097368 0.282402 1.483128
H -2.836947 0.518002 2.317781
H -4.062686 0.107615 1.101523
H -2.884940 -2.477958 2.091420
H 0.646656 -1.978699 -2.601245
H 0.275978 -0.257807 -2.441617
H -0.059112 1.398044 -2.097748
H -3.645810 3.098154 0.968248
H 0.251923 -3.546180 -0.668383
H -1.333165 -4.168898 1.124951
H -0.769934 3.778249 -2.176088
H -2.543672 4.621757 -0.661607
H 1.395068 0.581912 0.076462
H 5.561980 0.955464 0.741842
H 5.682688 -0.654263 1.478991
H 5.212510 0.737753 2.479464


%chk=000187907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187907

0 1
O 2.631538 0.238867 -1.777293
O 3.149977 0.178568 0.972626
O 4.559357 -1.579794 0.239230
N 2.065406 -0.521642 0.351535
C -1.384477 -0.495099 -0.142796
C -2.444089 -0.815416 0.764615
C -3.328283 0.400774 0.994143
C -1.513842 0.933955 -0.521581
C -2.665722 1.469691 0.139144
C -0.451785 -1.500365 -0.530055
C -2.577749 -2.103497 1.309393
C 0.666595 -1.239539 -1.525333
C -0.729491 1.774002 -1.351445
C -3.043844 2.811432 -0.034920
C -0.602600 -2.796377 0.031559
C -1.642008 -3.100111 0.941532
C -1.115185 3.123593 -1.523246
C -2.263161 3.641830 -0.876650
C 1.871589 -0.418212 -1.015115
C 4.441346 -0.460893 0.748997
C 5.507244 0.490100 1.228308
H -3.366607 0.690204 2.062833
H -4.374177 0.209009 0.682540
H -3.393368 -2.337008 2.003138
H 1.086553 -2.198525 -1.883356
H 0.300407 -0.705537 -2.418847
H 0.175673 1.417293 -1.849871
H -3.927381 3.214434 0.473737
H 0.102481 -3.583881 -0.262383
H -1.726704 -4.112755 1.350407
H -0.510428 3.777115 -2.161467
H -2.543477 4.690979 -1.022735
H 1.445199 -1.012751 0.999062
H 5.137686 1.122961 2.049818
H 5.788985 1.152247 0.389487
H 6.396841 -0.075855 1.543087


