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	hartrees
Energy at 0K	-113.761040
Energy at 298.15K	-113.760887
HF Energy	-113.761040
Nuclear repulsion energy	25.911180

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'	3481	3481	38.04	343.49	0.32	0.48
2	A'	1428	1428	94.34	6.71	0.69	0.81
3	A'	1150	1150	101.18	21.03	0.42	0.59

Atom	x (Å)	y (Å)
C1	0.060	0.791
O2	0.060	-0.484
H3	-0.841	-0.876

	C1	O2	H3
C1		1.2747	1.8951
O2	1.2747		0.9826
H3	1.8951	0.9826

Number	Element	Mulliken
1	C	-0.000
2	O	-0.168
3	H	0.168

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: M06-2X/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
	-1.595	-2.175	0.000	2.697
CHELPG
AIM
ESP

	x	y	z
x	2.751	0.292	0.000
y	0.292	3.195	0.000
z	0.000	0.000	2.134

<r²>	14.724
(<r²>)^1/2	3.837