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	hartrees
Energy at 0K	-109.163530
Energy at 298.15K	-109.167254
HF Energy	-109.163530
Nuclear repulsion energy	145.944429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3131	3051	0.00
2	A_g	1425	1389	0.00
3	A_g	1129	1100	0.00
4	A_g	1034	1008	0.00
5	A_g	566	551	0.00
6	A_g	331	322	0.00
7	A_u	1317	1284	12.16
8	A_u	1051	1024	354.29
9	A_u	195	190	4.17
10	A_u	66	64	4.08
11	B_g	1346	1312	0.00
12	B_g	1014	988	0.00
13	B_g	447	435	0.00
14	B_u	3141	3061	24.68
15	B_u	1291	1258	19.45
16	B_u	1038	1012	185.15
17	B_u	478	466	13.88
18	B_u	394	384	73.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.261	0.726	0.000
C2	0.261	-0.726	0.000
H3	-1.350	0.812	0.000
H4	1.350	-0.812	0.000
F5	0.261	1.386	1.143
F6	0.261	1.386	-1.143
F7	-0.261	-1.386	1.143
F8	-0.261	-1.386	-1.143

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5425	1.0928	2.2267	1.4187	1.4187	2.4009	2.4009
C2	1.5425		2.2267	1.0928	2.4009	2.4009	1.4187	1.4187
H3	1.0928	2.2267		3.1505	2.0566	2.0566	2.7056	2.7056
H4	2.2267	1.0928	3.1505		2.7056	2.7056	2.0566	2.0566
F5	1.4187	2.4009	2.0566	2.7056		2.2853	2.8199	3.6297
F6	1.4187	2.4009	2.0566	2.7056	2.2853		3.6297	2.8199
F7	2.4009	1.4187	2.7056	2.0566	2.8199	3.6297		2.2853
F8	2.4009	1.4187	2.7056	2.0566	3.6297	2.8199	2.2853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	114.249	C1	C2	F7	108.271
C1	C2	F8	108.271	C2	C1	H3	114.249
C2	C1	F5	108.271	C2	C1	F6	108.271
H3	C1	F5	109.260	H3	C1	F6	109.260
H4	C2	F7	109.260	H4	C2	F8	109.260
F5	C1	F6	107.302	F7	C2	F8	107.302

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

using model chemistry: B3LYP/CEP-121G

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	0.190
2	C	0.190
3	H	0.181
4	H	0.181
5	F	-0.185
6	F	-0.185
7	F	-0.185
8	F	-0.185

	x	y	z
x	3.328	0.166	0.000
y	0.166	3.565	0.000
z	0.000	0.000	4.076

<r²>	123.614
(<r²>)^1/2	11.118

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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