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	hartrees
Energy at 0K	-740.443577
Energy at 298.15K	-740.446165
HF Energy	-740.443577
Nuclear repulsion energy	228.005802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1885	1803	378.68
2	A'	1395	1334	296.84
3	A'	850	814	195.40
4	A'	814	778	25.04
5	A'	607	580	63.73
6	A'	466	446	12.19
7	A'	258	247	0.19
8	A"	758	726	14.98
9	A"	135	129	0.50

Atom	x (Å)	y (Å)
Cl1	-1.621	0.323
O2	0.000	0.819
N3	0.967	-0.297
O4	0.539	-1.398
O5	2.060	0.153

	Cl1	O2	N3	O4	O5
Cl1		1.6955	2.6616	2.7615	3.6855
O2	1.6955		1.4771	2.2812	2.1654
N3	2.6616	1.4771		1.1804	1.1822
O4	2.7615	2.2812	1.1804		2.1720
O5	3.6855	2.1654	1.1822	2.1720

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.877		O2	N3	O4	117.839
O2	N3	O5	108.520		O4	N3	O5	133.642

All results from a given calculation for ClONO₂ (Chlorine nitrate)

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	0.213
2	O	-0.312
3	N	0.494
4	O	-0.199
5	O	-0.197

	x	y	z	Total
	-1.069	-0.155	0.000	1.080
CHELPG
AIM
ESP

	x	y	z
x	7.418	-0.019	0.000
y	-0.019	4.022	0.000
z	0.000	0.000	1.808

<r²>	132.228
(<r²>)^1/2	11.499

All results from a given calculation for ClONO2 (Chlorine nitrate)

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

States and conformations

All results from a given calculation for ClONO₂ (Chlorine nitrate)