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	hartrees
Energy at 0K	-113.787734
Energy at 298.15K	-113.787579
HF Energy	-113.787734
Nuclear repulsion energy	26.028252

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'	3467	3311	28.22	409.09	0.33	0.50
2	A'	1432	1367	83.67	8.43	0.63	0.77
3	A'	1137	1086	93.03	32.30	0.49	0.66

Atom	x (Å)	y (Å)
C1	0.059	0.788
O2	0.059	-0.480
H3	-0.831	-0.887

	C1	O2	H3
C1		1.2681	1.8968
O2	1.2681		0.9791
H3	1.8968	0.9791

Number	Element	Mulliken
1	C	-0.113
2	O	-0.198
3	H	0.311

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: wB97X-D/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
	-1.731	-2.277	0.000	2.860
CHELPG
AIM
ESP

	x	y	z
x	2.224	0.360	0.000
y	0.360	2.927	0.000
z	0.000	0.000	1.716

<r²>	14.580
(<r²>)^1/2	3.818