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	hartrees
Energy at 0K	-590.180048
Energy at 298.15K
HF Energy	-590.180048
Nuclear repulsion energy	84.926607

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'	1909	1909	640.71	6.58	0.51	0.68
2	A'	611	611	105.56	3.50	0.14	0.25
3	A'	335	335	84.71	19.36	0.21	0.35

Atom	x (Å)	y (Å)
Cl1	-0.525	-0.944
N2	0.000	0.977
O3	1.115	1.151

	Cl1	N2	O3
Cl1		1.9918	2.6606
N2	1.9918		1.1285
O3	2.6606	1.1285

Number	Element	Mulliken
1	Cl	-0.110
2	N	0.196
3	O	-0.086

All results from a given calculation for ClNO (Nitrosyl chloride)

using model chemistry: B3LYPultrafine/aug-cc-pV(T+d)Z

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
	0.929	1.783	0.000	2.011
CHELPG
AIM
ESP

	x	y	z
x	4.769	1.765	0.000
y	1.765	6.995	0.000
z	0.000	0.000	3.386

<r²>	61.549
(<r²>)^1/2	7.845