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	hartrees
Energy at 0K	-1004.861717
Energy at 298.15K	-1004.860186
HF Energy	-1004.861717
Nuclear repulsion energy	145.335486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	841	808	54.00
2	A'	324	311	22.50
3	A'	207	199	12.71
4	A'	104	100	1.34
5	A"	316	304	60.66
6	A"	188	181	1.81

Atom	x (Å)	y (Å)	z (Å)
Se1	0.159	0.617	0.000
O2	-1.352	1.373	0.000
Cl3	0.159	-0.940	1.827
Cl4	0.159	-0.940	-1.827

	Se1	O2	Cl3	Cl4
Se1		1.6889	2.4006	2.4006
O2	1.6889		3.3118	3.3118
Cl3	2.4006	3.3118		3.6530
Cl4	2.4006	3.3118	3.6530

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.865		O2	Se1	Cl4	106.865
Cl3	Se1	Cl4	99.078

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

using model chemistry: B3LYP/SDD

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	0.893
2	O	-0.480
3	Cl	-0.206
4	Cl	-0.206

	x	y	z	Total
	2.557	1.531	0.000	2.980
CHELPG
AIM
ESP

	x	y	z
x	4.180	-2.029	0.000
y	-2.029	7.838	0.000
z	0.000	0.000	11.117

<r²>	206.442
(<r²>)^1/2	14.368

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

using model chemistry: B3LYP/SDD

States and conformations

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