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	hartrees
Energy at 0K	-565.759914
Energy at 298.15K	-565.759361
HF Energy	-565.759914
Nuclear repulsion energy	76.831607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1283	1048	46.29
2	A'	679	554	38.23
3	A'	431	352	9.76

Atom	x (Å)	y (Å)
Cl1	-0.528	-0.905
C2	0.000	0.858
O3	1.121	1.280

	Cl1	C2	O3
Cl1		1.8401	2.7371
C2	1.8401		1.1979
O3	2.7371	1.1979

Number	Element	Mulliken
1	Cl	-0.146
2	C	0.277
3	O	-0.131

All results from a given calculation for ClCO (carbonyl monochloride)

using model chemistry: HF/STO-3G

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
	0.013	1.234	0.000	1.234
CHELPG
AIM
ESP

	x	y	z
x	1.442	1.115	0.000
y	1.115	2.896	0.000
z	0.000	0.000	0.473

<r²>	59.726
(<r²>)^1/2	7.728