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	hartrees
Energy at 0K	-143.845944
Energy at 298.15K
HF Energy	-143.845944
Nuclear repulsion energy	50.136677

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'	1919	1727	939.91	15.15	0.37	0.54
2	A'	640	576	183.23	16.84	0.34	0.51
3	A'	373	335	117.93	43.32	0.39	0.57

Atom	x (Å)	y (Å)
Cl1	-0.534	-0.933
N2	0.000	0.972
O3	1.134	1.132

	Cl1	N2	O3
Cl1		1.9781	2.6548
N2	1.9781		1.1457
O3	2.6548	1.1457

Number	Element	Mulliken
1	Cl	-0.143
2	N	0.186
3	O	-0.042

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

using model chemistry: HF/LANL2DZ

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
	0.653	1.745	0.000	1.863
CHELPG
AIM
ESP

	x	y	z
x	2.722	2.331	0.000
y	2.331	5.811	0.000
z	0.000	0.000	0.699

<r²>	49.683
(<r²>)^1/2	7.049