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	hartrees
Energy at 0K	-3381.823219
Energy at 298.15K	-3381.822092
HF Energy	-3381.823219
Nuclear repulsion energy	457.445469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1043	996	50.75
2	A'	397	380	51.39
3	A'	262	250	8.31
4	A'	151	144	0.90
5	A"	366	350	120.21
6	A"	233	223	0.03

Atom	x (Å)	y (Å)	z (Å)
Se1	0.155	0.586	0.000
O2	-1.315	1.284	0.000
Cl3	0.155	-0.888	1.652
Cl4	0.155	-0.888	-1.652

	Se1	O2	Cl3	Cl4
Se1		1.6275	2.2141	2.2141
O2	1.6275		3.1001	3.1001
Cl3	2.2141	3.1001		3.3035
Cl4	2.2141	3.1001	3.3035

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.604		O2	Se1	Cl4	106.604
Cl3	Se1	Cl4	96.490

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

using model chemistry: B1B95/3-21G*

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	0.686
2	O	-0.357
3	Cl	-0.164
4	Cl	-0.164

	x	y	z	Total
	1.935	1.219	0.000	2.287
CHELPG
AIM
ESP

	x	y	z
x	4.341	-1.086	0.000
y	-1.086	6.942	0.000
z	0.000	0.000	9.005

<r²>	190.646
(<r²>)^1/2	13.807

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

using model chemistry: B1B95/3-21G*

States and conformations

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