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	hartrees
Energy at 0K	-740.154044
Energy at 298.15K	-740.156645
HF Energy	-740.154044
Nuclear repulsion energy	229.288393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1867	1794	385.73
2	A'	1384	1330	275.99
3	A'	856	823	82.57
4	A'	821	789	121.80
5	A'	609	585	66.93
6	A'	467	448	15.59
7	A'	260	250	0.09
8	A"	763	733	12.85
9	A"	135	129	0.16

Atom	x (Å)	y (Å)
Cl1	-1.600	0.338
O2	0.000	0.823
N3	0.955	-0.306
O4	0.509	-1.398
O5	2.055	0.125

	Cl1	O2	N3	O4	O5
Cl1		1.6717	2.6345	2.7306	3.6609
O2	1.6717		1.4791	2.2783	2.1703
N3	2.6345	1.4791		1.1790	1.1818
O4	2.7306	2.2783	1.1790		2.1704
O5	3.6609	2.1703	1.1818	2.1704

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	113.328		O2	N3	O4	117.547
O2	N3	O5	108.790		O4	N3	O5	133.663

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.123
2	O	-0.208
3	N	0.474
4	O	-0.192
5	O	-0.198

	x	y	z	Total
	-1.039	-0.026	0.000	1.039
CHELPG
AIM
ESP

	x	y	z
x	7.802	-0.154	0.000
y	-0.154	4.629	0.000
z	0.000	0.000	2.642

<r²>	130.492
(<r²>)^1/2	11.423

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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