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	hartrees
Energy at 0K	-664.979591
Energy at 298.15K	-664.980968
HF Energy	-664.979591
Nuclear repulsion energy	148.445198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1645	1634	262.46
2	A'	993	986	52.73
3	A'	768	763	56.01
4	A'	298	296	105.12
5	A'	156	155	22.94
6	A"	492	488	1.24

Atom	x (Å)	y (Å)
Cl1	-1.288	-0.484
O2	0.000	0.948
N3	1.229	0.632
O4	1.661	-0.473

	Cl1	O2	N3	O4
Cl1		1.9256	2.7535	2.9494
O2	1.9256		1.2690	2.1864
N3	2.7535	1.2690		1.1874
O4	2.9494	2.1864	1.1874

Number	Element	Mulliken
1	Cl	-0.087
2	O	-0.052
3	N	0.238
4	O	-0.098

All results from a given calculation for ClONO (chlorine nitrite)

using model chemistry: PBEPBEultrafine/cc-pVTZ

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
	0.626	0.513	0.000	0.809
CHELPG
AIM
ESP

	x	y	z
x	8.428	1.157	0.000
y	1.157	4.394	0.000
z	0.000	0.000	2.461

<r²>	94.269
(<r²>)^1/2	9.709