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	hartrees
Energy at 0K	-113.663697
Energy at 298.15K	-113.663540
HF Energy	-113.663697
Nuclear repulsion energy	25.895839

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'	3433	3279	36.08	401.82	0.35	0.52
2	A'	1426	1362	84.98	8.80	0.62	0.76
3	A'	1126	1076	91.06	30.88	0.48	0.65

Atom	x (Å)	y (Å)
C1	0.060	0.792
O2	0.060	-0.483
H3	-0.834	-0.892

	C1	O2	H3
C1		1.2749	1.9066
O2	1.2749		0.9830
H3	1.9066	0.9830

Number	Element	Mulliken
1	C	-0.083
2	O	-0.291
3	H	0.374

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBE1PBE/6-31+G**

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
	-1.749	-2.255	0.000	2.853
CHELPG
AIM
ESP

	x	y	z
x	2.386	0.306	0.000
y	0.306	3.092	0.000
z	0.000	0.000	1.795

<r²>	14.732
(<r²>)^1/2	3.838