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	hartrees
Energy at 0K	-3397.558660
Energy at 298.15K	-3397.557484
HF Energy	-3397.558660
Nuclear repulsion energy	456.250400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1012	973	84.63
2	A'	382	368	50.41
3	A'	260	250	8.47
4	A'	142	137	0.71
5	A"	352	339	116.36
6	A"	226	217	0.13

Atom	x (Å)	y (Å)	z (Å)
Se1	0.153	0.586	0.000
O2	-1.298	1.275	0.000
Cl3	0.153	-0.887	1.673
Cl4	0.153	-0.887	-1.673

	Se1	O2	Cl3	Cl4
Se1		1.6058	2.2293	2.2293
O2	1.6058		3.0948	3.0948
Cl3	2.2293	3.0948		3.3467
Cl4	2.2293	3.0948	3.3467

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.465		O2	Se1	Cl4	106.465
Cl3	Se1	Cl4	97.288

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

using model chemistry: B1B95/cc-pVDZ

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	0.829
2	O	-0.421
3	Cl	-0.204
4	Cl	-0.204

	x	y	z	Total
	2.125	0.984	0.000	2.342
CHELPG
AIM
ESP

	x	y	z
x	4.533	-1.179	0.000
y	-1.179	7.222	0.000
z	0.000	0.000	9.342

<r²>	192.286
(<r²>)^1/2	13.867

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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