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	hartrees
Energy at 0K	-740.343236
Energy at 298.15K	-740.345819
HF Energy	-740.343236
Nuclear repulsion energy	228.173375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1891	1794	328.58
2	A'	1402	1330	274.26
3	A'	849	805	127.63
4	A'	823	780	81.62
5	A'	621	589	45.15
6	A'	472	447	6.58
7	A'	262	248	0.06
8	A"	751	712	15.28
9	A"	136	129	0.25

Atom	x (Å)	y (Å)
Cl1	-1.614	0.315
O2	0.000	0.821
N3	0.958	-0.289
O4	0.529	-1.398
O5	2.062	0.161

	Cl1	O2	N3	O4	O5
Cl1		1.6911	2.6411	2.7433	3.6786
O2	1.6911		1.4660	2.2814	2.1650
N3	2.6411	1.4660		1.1891	1.1921
O4	2.7433	2.2814	1.1891		2.1860
O5	3.6786	2.1650	1.1921	2.1860

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.370		O2	N3	O4	118.093
O2	N3	O5	108.634		O4	N3	O5	133.273

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

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	0.249
2	O	-0.383
3	N	0.768
4	O	-0.323
5	O	-0.312

	x	y	z	Total
	-1.139	-0.029	0.000	1.139
CHELPG
AIM
ESP

	x	y	z
x	7.255	-0.035	0.000
y	-0.035	4.054	0.000
z	0.000	0.000	2.076

<r²>	131.300
(<r²>)^1/2	11.459

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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