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	hartrees
Energy at 0K	-664.958979
Energy at 298.15K	-664.960597
HF Energy	-664.958979
Nuclear repulsion energy	154.057795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1779	1712	272.75
2	A'	894	860	3.97
3	A'	738	710	85.89
4	A'	488	469	29.63
5	A'	245	236	0.70
6	A"	433	416	0.92

Atom	x (Å)	y (Å)
Cl1	-1.229	-0.333
O2	0.000	0.919
N3	1.281	0.501
O4	1.491	-0.650

	Cl1	O2	N3	O4
Cl1		1.7548	2.6456	2.7390
O2	1.7548		1.3478	2.1645
N3	2.6456	1.3478		1.1697
O4	2.7390	2.1645	1.1697

Number	Element	Mulliken
1	Cl	0.256
2	O	-0.454
3	N	0.534
4	O	-0.336

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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
	-0.264	-0.057	0.000	0.270
CHELPG
AIM
ESP

	x	y	z
x	7.717	0.419	0.000
y	0.419	4.793	0.000
z	0.000	0.000	3.434

<r²>	86.497
(<r²>)^1/2	9.300