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	hartrees
Energy at 0K	-665.297519
Energy at 298.15K	-665.299507
Nuclear repulsion energy	154.627316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1403	1342	428.32
2	A₁	831	795	299.95
3	A₁	379	362	76.45
4	B₁	693	663	7.57
5	B₂	1873	1792	432.88
6	B₂	426	407	0.51

Atom	y (Å)	z (Å)
Cl1	0.000	1.277
N2	0.000	-0.617
O3	1.081	-1.086
O4	-1.081	-1.086

	Cl1	N2	O3	O4
Cl1		1.8939	2.5983	2.5983
N2	1.8939		1.1780	1.1780
O3	2.5983	1.1780		2.1612
O4	2.5983	1.1780	2.1612

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.466		Cl1	N2	O4	113.466
O3	N2	O4	133.068

All results from a given calculation for ClNO₂ (Nitryl chloride)

using model chemistry: mPW1PW91/6-311G**

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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Number	Element	Mulliken
1	Cl	0.018
2	N	0.275
3	O	-0.146
4	O	-0.146

	x	y	z	Total
	0.000	0.000	-0.057	0.057
CHELPG
AIM
ESP

<r²>	85.944
(<r²>)^1/2	9.271

All results from a given calculation for ClNO2 (Nitryl chloride)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for ClNO₂ (Nitryl chloride)