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	hartrees
Energy at 0K	-995.543089
Energy at 298.15K
HF Energy	-994.077804
Nuclear repulsion energy	550.797925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_1g	727	727	0.00	24.67	0.00	0.00
2	E_g	638	638	0.00	3.79	0.75	0.86
2	E_g	638	638	0.00	3.79	0.75	0.86
3	T_1u	950	950	384.31	0.00	0.00	0.00
3	T_1u	950	950	384.31	0.00	0.00	0.00
3	T_1u	950	950	384.31	0.00	0.00	0.00
4	T_1u	570	570	25.46	0.00	0.00	0.00
4	T_1u	570	570	25.46	0.00	0.00	0.00
4	T_1u	570	570	25.46	0.00	0.00	0.00
5	T_2g	478	478	0.00	1.32	0.75	0.86
5	T_2g	478	478	0.00	1.32	0.75	0.86
5	T_2g	478	478	0.00	1.32	0.75	0.86
6	T_2u	323	323	0.00	0.00	0.00	0.00
6	T_2u	323	323	0.00	0.00	0.00	0.00
6	T_2u	323	323	0.00	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.000
F2	0.000	0.000	1.607
F3	0.000	1.607	0.000
F4	1.607	0.000	0.000
F5	0.000	-1.607	0.000
F6	-1.607	0.000	0.000
F7	0.000	0.000	-1.607

	S1	F2	F3	F4	F5	F6	F7
S1		1.6071	1.6071	1.6071	1.6071	1.6071	1.6071
F2	1.6071		2.2728	2.2728	2.2728	2.2728	3.2143
F3	1.6071	2.2728		2.2728	3.2143	2.2728	2.2728
F4	1.6071	2.2728	2.2728		2.2728	3.2143	2.2728
F5	1.6071	2.2728	3.2143	2.2728		2.2728	2.2728
F6	1.6071	2.2728	2.2728	3.2143	2.2728		2.2728
F7	1.6071	3.2143	2.2728	2.2728	2.2728	2.2728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	90.000	F2	S1	F4	90.000
F2	S1	F5	90.000	F2	S1	F6	90.000
F2	S1	F7	180.000	F3	S1	F4	90.000
F3	S1	F5	180.000	F3	S1	F6	90.000
F3	S1	F7	90.000	F4	S1	F5	90.000
F4	S1	F6	180.000	F4	S1	F7	90.000
F5	S1	F6	90.000	F5	S1	F7	90.000
F6	S1	F7	90.000

All results from a given calculation for SF₆ (Sulfur Hexafluoride)

using model chemistry: MP2=FULL/daug-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 SF6 (Sulfur Hexafluoride)

using model chemistry: MP2=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for SF₆ (Sulfur Hexafluoride)