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	hartrees
Energy at 0K	-740.380272
Energy at 298.15K	-740.382773
HF Energy	-740.380272
Nuclear repulsion energy	226.530192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1835	1770	398.08
2	A'	1363	1314	295.57
3	A'	838	808	135.31
4	A'	802	773	66.72
5	A'	575	555	61.20
6	A'	441	426	23.98
7	A'	245	236	0.30
8	A"	731	705	11.42
9	A"	129	125	0.51

Atom	x (Å)	y (Å)
Cl1	-1.626	0.350
O2	0.000	0.832
N3	0.974	-0.319
O4	0.528	-1.414
O5	2.075	0.118

	Cl1	O2	N3	O4	O5
Cl1		1.6959	2.6848	2.7842	3.7085
O2	1.6959		1.5080	2.3076	2.1947
N3	2.6848	1.5080		1.1827	1.1846
O4	2.7842	2.3076	1.1827		2.1776
O5	3.7085	2.1947	1.1846	2.1776

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.725		O2	N3	O4	117.588
O2	N3	O5	108.597		O4	N3	O5	133.815

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

using model chemistry: B3PW91/TZVP

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	0.133
2	O	-0.190
3	N	0.260
4	O	-0.090
5	O	-0.113

	x	y	z	Total
	-1.067	-0.171	0.000	1.081
CHELPG
AIM
ESP

	x	y	z
x	8.034	-0.146	0.000
y	-0.146	4.613	0.000
z	0.000	0.000	2.260

<r²>	133.875
(<r²>)^1/2	11.570

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

using model chemistry: B3PW91/TZVP

States and conformations

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