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	hartrees
Energy at 0K	-665.212368
Energy at 298.15K	-665.214354
Nuclear repulsion energy	154.772289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1411	1342	393.57
2	A₁	819	779	261.42
3	A₁	394	375	62.58
4	B₁	686	653	8.22
5	B₂	1876	1785	377.96
6	B₂	426	405	0.70

Atom	y (Å)	z (Å)
Cl1	0.000	1.267
N2	0.000	-0.603
O3	1.087	-1.082
O4	-1.087	-1.082

	Cl1	N2	O3	O4
Cl1		1.8694	2.5882	2.5882
N2	1.8694		1.1879	1.1879
O3	2.5882	1.1879		2.1736
O4	2.5882	1.1879	2.1736

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.813		Cl1	N2	O4	113.813
O3	N2	O4	132.374

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

using model chemistry: mPW1PW91/6-31G**

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	0.069
2	N	0.427
3	O	-0.248
4	O	-0.248

	x	y	z	Total
	0.000	0.000	0.168	0.168
CHELPG
AIM
ESP

<r²>	85.197
(<r²>)^1/2	9.230

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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