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	hartrees
Energy at 0K	-590.160477
Energy at 298.15K
HF Energy	-590.160477
Nuclear repulsion energy	83.129964

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'	1815	1805	563.66	8.99	0.44	0.61
2	A'	574	571	74.26	3.42	0.15	0.26
3	A'	312	310	53.52	17.59	0.24	0.38

Atom	x (Å)	y (Å)
Cl1	-0.530	-0.973
N2	0.000	1.000
O3	1.127	1.193

	Cl1	N2	O3
Cl1		2.0428	2.7271
N2	2.0428		1.1436
O3	2.7271	1.1436

Number	Element	Mulliken
1	Cl	-0.192
2	N	0.215
3	O	-0.023

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

using model chemistry: BLYP/6-311+G(3df,2p)

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
	0.944	1.765	0.000	2.002
CHELPG
AIM
ESP

	x	y	z
x	4.801	1.899	0.000
y	1.899	7.298	0.000
z	0.000	0.000	3.326

<r²>	63.978
(<r²>)^1/2	7.999