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	hartrees
Energy at 0K	-474.532690
Energy at 298.15K	-474.536571
HF Energy	-474.532690
Nuclear repulsion energy	267.980838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2990	2934	0.00
2	A_g	1445	1418	0.00
3	A_g	1154	1133	0.00
4	A_g	1123	1102	0.00
5	A_g	625	613	0.00
6	A_g	352	346	0.00
7	A_u	1342	1317	93.88
8	A_u	1198	1176	292.39
9	A_u	185	181	1.57
10	A_u	79	78	1.73
11	B_g	1367	1342	0.00
12	B_g	1157	1136	0.00
13	B_g	481	472	0.00
14	B_u	3002	2946	65.79
15	B_u	1281	1257	28.97
16	B_u	1173	1151	182.60
17	B_u	532	522	8.10
18	B_u	390	383	38.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	0.714	0.000
C2	0.242	-0.714	0.000
H3	-1.350	0.760	0.000
H4	1.350	-0.760	0.000
F5	0.242	1.326	1.097
F6	0.242	1.326	-1.097
F7	-0.242	-1.326	1.097
F8	-0.242	-1.326	-1.097

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5082	1.1090	2.1694	1.3463	1.3463	2.3168	2.3168
C2	1.5082		2.1694	1.1090	2.3168	2.3168	1.3463	1.3463
H3	1.1090	2.1694		3.0980	2.0145	2.0145	2.6045	2.6045
H4	2.1694	1.1090	3.0980		2.6045	2.6045	2.0145	2.0145
F5	1.3463	2.3168	2.0145	2.6045		2.1950	2.6958	3.4764
F6	1.3463	2.3168	2.0145	2.6045	2.1950		3.4764	2.6958
F7	2.3168	1.3463	2.6045	2.0145	2.6958	3.4764		2.1950
F8	2.3168	1.3463	2.6045	2.0145	3.4764	2.6958	2.1950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.055	C1	C2	F7	108.375
C1	C2	F8	108.375	C2	C1	H3	111.055
C2	C1	F5	108.375	C2	C1	F6	108.375
H3	C1	F5	109.888	H3	C1	F6	109.888
H4	C2	F7	109.888	H4	C2	F8	109.888
F5	C1	F6	109.215	F7	C2	F8	109.215

All results from a given calculation for CHF₂CHF₂ (1,1,2,2-tetrafluoroethane)

using model chemistry: LSDA/6-31G*

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	C	0.257
2	C	0.257
3	H	0.166
4	H	0.166
5	F	-0.212
6	F	-0.212
7	F	-0.212
8	F	-0.212

	x	y	z
x	3.652	-0.053	0.000
y	-0.053	3.579	0.000
z	0.000	0.000	3.641

<r²>	140.261
(<r²>)^1/2	11.843

All results from a given calculation for CHF2CHF2 (1,1,2,2-tetrafluoroethane)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for CHF₂CHF₂ (1,1,2,2-tetrafluoroethane)