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	hartrees
Energy at 0K	-113.699038
Energy at 298.15K	-113.698865
HF Energy	-113.699038
Nuclear repulsion energy	25.800247

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'	2829	2797	360.54	1889.15	0.35	0.51
2	A'	1327	1312	12.94	135.95	0.40	0.57
3	A'	1039	1028	49.19	325.96	0.40	0.57

Atom	x (Å)	y (Å)
C1	0.060	0.793
O2	0.060	-0.479
H3	-0.846	-0.926

	C1	O2	H3
C1		1.2714	1.9434
O2	1.2714		1.0108
H3	1.9434	1.0108

Number	Element	Mulliken
1	C	-0.126
2	O	-0.148
3	H	0.273

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBEPBE/TZVP

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
	-1.599	-2.236	0.000	2.749
CHELPG
AIM
ESP

	x	y	z
x	2.505	0.777	0.000
y	0.777	3.657	0.000
z	0.000	0.000	1.718

<r²>	14.819
(<r²>)^1/2	3.850