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	hartrees
Energy at 0K	-589.770072
Energy at 298.15K
HF Energy	-589.770072
Nuclear repulsion energy	83.426290

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'	1866	1835	489.73	9.97	0.22	0.36
2	A'	595	586	78.95	3.25	0.41	0.58
3	A'	325	319	49.63	14.13	0.37	0.54

Atom	x (Å)	y (Å)
Cl1	-0.537	-0.957
N2	0.000	0.990
O3	1.141	1.167

	Cl1	N2	O3
Cl1		2.0190	2.7072
N2	2.0190		1.1552
O3	2.7072	1.1552

Number	Element	Mulliken
1	Cl	-0.116
2	N	0.134
3	O	-0.018

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

using model chemistry: PBEPBEultrafine/6-31G*

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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	x	y	z	Total
	0.976	1.707	0.000	1.966
CHELPG
AIM
ESP

	x	y	z
x	3.272	1.990	0.000
y	1.990	5.733	0.000
z	0.000	0.000	1.629

<r²>	62.843
(<r²>)^1/2	7.927