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	hartrees
Energy at 0K	-587.138817
Energy at 298.15K
HF Energy	-587.138817
Nuclear repulsion energy	79.940697

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'	1490	1482	351.50	8.01	0.19	0.31
2	A'	561	558	65.71	5.10	0.36	0.53
3	A'	311	309	19.59	11.96	0.44	0.61

Atom	x (Å)	y (Å)
Cl1	-0.555	-1.006
N2	0.000	1.044
O3	1.180	1.225

	Cl1	N2	O3
Cl1		2.1242	2.8261
N2	2.1242		1.1935
O3	2.8261	1.1935

Number	Element	Mulliken
1	Cl	-0.171
2	N	0.287
3	O	-0.116

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

using model chemistry: BLYP/3-21G

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
	0.975	2.026	0.000	2.249
CHELPG
AIM
ESP

	x	y	z
x	2.741	2.179	0.000
y	2.179	5.434	0.000
z	0.000	0.000	0.966

<r²>	67.579
(<r²>)^1/2	8.221