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	hartrees
Energy at 0K	-113.773625
Energy at 298.15K	-113.773469
HF Energy	-113.773625
Nuclear repulsion energy	26.042718

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'	3385	3250	40.91	522.32	0.33	0.49
2	A'	1424	1367	56.45	13.34	0.53	0.69
3	A'	1132	1087	86.68	41.02	0.46	0.63

Atom	x (Å)	y (Å)
C1	0.060	0.787
O2	0.060	-0.480
H3	-0.835	-0.882

	C1	O2	H3
C1		1.2669	1.8934
O2	1.2669		0.9809
H3	1.8934	0.9809

Number	Element	Mulliken
1	C	-0.088
2	O	-0.180
3	H	0.268

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B1B95/6-311G**

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
	-1.682	-2.206	0.000	2.774
CHELPG
AIM
ESP

	x	y	z
x	1.897	0.423	0.000
y	0.423	2.680	0.000
z	0.000	0.000	1.489

<r²>	14.409
(<r²>)^1/2	3.796