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	hartrees
Energy at 0K	-590.042811
Energy at 298.15K
HF Energy	-590.042811
Nuclear repulsion energy	84.317864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1980	1906	688.74
2	A'	610	587	112.32
3	A'	328	316	81.95

Atom	x (Å)	y (Å)
Cl1	-0.523	-0.959
N2	0.000	0.992
O3	1.111	1.171

	Cl1	N2	O3
Cl1		2.0198	2.6847
N2	2.0198		1.1253
O3	2.6847	1.1253

Number	Element	Mulliken
1	Cl	-0.171
2	N	0.133
3	O	0.037

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

using model chemistry: B3PW91/6-311G*

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
	1.119	2.123	0.000	2.399
CHELPG
AIM
ESP

	x	y	z
x	3.063	2.077	0.000
y	2.077	5.956	0.000
z	0.000	0.000	1.400

<r²>	62.519
(<r²>)^1/2	7.907