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	hartrees
Energy at 0K	-113.218161
Energy at 298.15K	-113.218021
HF Energy	-113.218161
Nuclear repulsion energy	26.090330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3940	3588	85.29	109.42	0.25	0.40
2	A'	1467	1336	171.69	3.33	0.46	0.63
3	A'	1288	1173	116.72	4.27	0.44	0.62

Atom	x (Å)	y (Å)
C1	0.059	0.789
O2	0.059	-0.484
H3	-0.821	-0.857

	C1	O2	H3
C1		1.2729	1.8655
O2	1.2729		0.9549
H3	1.8655	0.9549

Number	Element	Mulliken
1	C	0.117
2	O	-0.313
3	H	0.196

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	x	y	z	Total
	-1.643	-1.979	0.000	2.572
CHELPG
AIM
ESP

	x	y	z
x	2.500	0.186	0.000
y	0.186	2.728	0.000
z	0.000	0.000	2.059

<r²>	14.569
(<r²>)^1/2	3.817