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	hartrees
Energy at 0K	-3392.443072
Energy at 298.15K	-3392.442061
HF Energy	-3391.550007
Nuclear repulsion energy	467.569254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1134	1066	75.48
2	A'	413	389	63.75
3	A'	286	268	6.11
4	A'	162	153	0.43
5	A"	383	360	124.15
6	A"	246	231	0.05

Atom	x (Å)	y (Å)	z (Å)
Se1	0.151	0.579	0.000
O2	-1.287	1.241	0.000
Cl3	0.151	-0.871	1.616
Cl4	0.151	-0.871	-1.616

	Se1	O2	Cl3	Cl4
Se1		1.5828	2.1715	2.1715
O2	1.5828		3.0232	3.0232
Cl3	2.1715	3.0232		3.2318
Cl4	2.1715	3.0232	3.2318

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	Se1	Cl3	106.209		O2	Se1	Cl4	106.209
Cl3	Se1	Cl4	96.166

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for SeOCl2 (selenium oxychloride)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

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