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	hartrees
Energy at 0K	-3397.479870
Energy at 298.15K	-3397.478777
HF Energy	-3397.479870
Nuclear repulsion energy	461.278097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1043	1000	96.90
2	A'	395	379	53.46
3	A'	273	262	6.94
4	A'	149	143	0.39
5	A"	366	351	119.40
6	A"	239	229	0.34

Atom	x (Å)	y (Å)	z (Å)
Se1	0.152	0.582	0.000
O2	-1.294	1.241	0.000
Cl3	0.152	-0.875	1.656
Cl4	0.152	-0.875	-1.656

	Se1	O2	Cl3	Cl4
Se1		1.5896	2.2054	2.2054
O2	1.5896		3.0513	3.0513
Cl3	2.2054	3.0513		3.3114
Cl4	2.2054	3.0513	3.3114

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	105.892		O2	Se1	Cl4	105.892
Cl3	Se1	Cl4	97.307

All results from a given calculation for SeOCl₂ (selenium oxychloride)

using model chemistry: mPW1PW91/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	Se	0.791
2	O	-0.424
3	Cl	-0.183
4	Cl	-0.183

	x	y	z	Total
	2.151	0.534	0.000	2.216
CHELPG
AIM
ESP

	x	y	z
x	5.778	-1.062	0.000
y	-1.062	8.131	0.000
z	0.000	0.000	10.161

<r²>	188.485
(<r²>)^1/2	13.729

All results from a given calculation for SeOCl2 (selenium oxychloride)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for SeOCl₂ (selenium oxychloride)