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	hartrees
Energy at 0K	-571.738089
Energy at 298.15K	-571.737599
HF Energy	-571.738089
Nuclear repulsion energy	78.958987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1915	1894	322.22
2	A'	657	650	104.64
3	A'	396	392	12.22

Atom	x (Å)	y (Å)
Cl1	-0.509	-0.885
C2	0.000	0.819
O3	1.082	1.266

	Cl1	C2	O3
Cl1		1.7783	2.6749
C2	1.7783		1.1704
O3	2.6749	1.1704

Number	Element	Mulliken
1	Cl	0.007
2	C	-0.009
3	O	0.002

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

using model chemistry: LSDA/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.322	-0.323	0.000	0.456
CHELPG
AIM
ESP

	x	y	z
x	2.944	1.325	0.000
y	1.325	4.796	0.000
z	0.000	0.000	1.809

<r²>	58.312
(<r²>)^1/2	7.636