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	hartrees
Energy at 0K	-2999.783583
Energy at 298.15K	-2999.785356
HF Energy	-2999.297507
Nuclear repulsion energy	811.992382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	677	651	0.00
2	E_g	643	618	0.00
2	E_g	643	618	0.00
3	T_1u	766	736	174.93
3	T_1u	766	736	174.93
3	T_1u	766	736	174.93
4	T_1u	411	395	47.84
4	T_1u	411	395	47.84
4	T_1u	411	395	47.84
5	T_2g	370	356	0.00
5	T_2g	370	356	0.00
5	T_2g	370	356	0.00
6	T_2u	246	237	0.00
6	T_2u	246	237	0.00
6	T_2u	246	237	0.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.000
F2	0.000	0.000	1.724
F3	0.000	1.724	0.000
F4	1.724	0.000	0.000
F5	0.000	-1.724	0.000
F6	-1.724	0.000	0.000
F7	0.000	0.000	-1.724

	Se1	F2	F3	F4	F5	F6	F7
Se1		1.7236	1.7236	1.7236	1.7236	1.7236	1.7236
F2	1.7236		2.4376	2.4376	2.4376	2.4376	3.4473
F3	1.7236	2.4376		2.4376	3.4473	2.4376	2.4376
F4	1.7236	2.4376	2.4376		2.4376	3.4473	2.4376
F5	1.7236	2.4376	3.4473	2.4376		2.4376	2.4376
F6	1.7236	2.4376	2.4376	3.4473	2.4376		2.4376
F7	1.7236	3.4473	2.4376	2.4376	2.4376	2.4376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Se1	F3	90.000	F2	Se1	F4	90.000
F2	Se1	F5	90.000	F2	Se1	F6	90.000
F2	Se1	F7	180.000	F3	Se1	F4	90.000
F3	Se1	F5	180.000	F3	Se1	F6	90.000
F3	Se1	F7	90.000	F4	Se1	F5	90.000
F4	Se1	F6	180.000	F4	Se1	F7	90.000
F5	Se1	F6	90.000	F5	Se1	F7	90.000
F6	Se1	F7	90.000

All results from a given calculation for SeF₆ (Selenium hexafluoride)

using model chemistry: B2PLYP=FULL/aug-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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All results from a given calculation for SeF6 (Selenium hexafluoride)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for SeF₆ (Selenium hexafluoride)