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	hartrees
Energy at 0K	-113.710670
Energy at 298.15K	-113.710516
HF Energy	-113.710670
Nuclear repulsion energy	26.031932

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'	3373	3242	41.40	569.64	0.32	0.48
2	A'	1422	1367	47.70	13.68	0.56	0.72
3	A'	1143	1098	91.56	44.08	0.41	0.58

Atom	x (Å)	y (Å)
C1	0.060	0.787
O2	0.060	-0.480
H3	-0.836	-0.882

	C1	O2	H3
C1		1.2673	1.8940
O2	1.2673		0.9818
H3	1.8940	0.9818

Number	Element	Mulliken
1	C	-0.154
2	O	-0.067
3	H	0.221

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: HSEh1PBE/cc-pVTZ

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
	-1.577	-2.264	0.000	2.759
CHELPG
AIM
ESP

	x	y	z
x	2.214	0.398	0.000
y	0.398	2.923	0.000
z	0.000	0.000	1.783

<r²>	14.502
(<r²>)^1/2	3.808