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	hartrees
Energy at 0K	-573.468489
Energy at 298.15K	-573.467956
HF Energy	-573.468489
Nuclear repulsion energy	78.743002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1986	1896	365.01
2	A'	628	599	114.76
3	A'	373	356	27.60

Atom	x (Å)	y (Å)
Cl1	-0.506	-0.892
C2	0.000	0.832
O3	1.076	1.271

	Cl1	C2	O3
Cl1		1.7973	2.6803
C2	1.7973		1.1620
O3	2.6803	1.1620

Number	Element	Mulliken
1	Cl	0.018
2	C	0.206
3	O	-0.224

All results from a given calculation for (carbonyl monochloride)

using model chemistry: B1B95/6-31G**

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.432	-0.067	0.000	0.437
CHELPG
AIM
ESP

	x	y	z
x	2.997	1.284	0.000
y	1.284	4.767	0.000
z	0.000	0.000	1.815

<r²>	58.664
(<r²>)^1/2	7.659