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	hartrees
Energy at 0K	-474.166818
Energy at 298.15K	-474.170668
HF Energy	-474.166818
Nuclear repulsion energy	262.451843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3122	3012	0.00
2	A_g	1484	1432	0.00
3	A_g	1142	1102	0.00
4	A_g	1091	1052	0.00
5	A_g	594	573	0.00
6	A_g	344	332	0.00
7	A_u	1404	1355	48.95
8	A_u	1182	1140	222.77
9	A_u	187	180	3.57
10	A_u	85	82	1.96
11	B_g	1421	1371	0.00
12	B_g	1128	1088	0.00
13	B_g	466	450	0.00
14	B_u	3138	3028	61.19
15	B_u	1353	1305	21.94
16	B_u	1123	1084	149.17
17	B_u	508	490	11.67
18	B_u	383	369	55.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	0.715	0.000
C2	0.250	-0.715	0.000
H3	-1.340	0.742	0.000
H4	1.340	-0.742	0.000
F5	0.250	1.345	1.131
F6	0.250	1.345	-1.131
F7	-0.250	-1.345	1.131
F8	-0.250	-1.345	-1.131

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5145	1.0901	2.1566	1.3887	1.3887	2.3498	2.3498
C2	1.5145		2.1566	1.0901	2.3498	2.3498	1.3887	1.3887
H3	1.0901	2.1566		3.0635	2.0432	2.0432	2.6118	2.6118
H4	2.1566	1.0901	3.0635		2.6118	2.6118	2.0432	2.0432
F5	1.3887	2.3498	2.0432	2.6118		2.2629	2.7360	3.5506
F6	1.3887	2.3498	2.0432	2.6118	2.2629		3.5506	2.7360
F7	2.3498	1.3887	2.6118	2.0432	2.7360	3.5506		2.2629
F8	2.3498	1.3887	2.6118	2.0432	3.5506	2.7360	2.2629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.738	C1	C2	F7	107.998
C1	C2	F8	107.998	C2	C1	H3	110.738
C2	C1	F5	107.998	C2	C1	F6	107.998
H3	C1	F5	110.450	H3	C1	F6	110.450
H4	C2	F7	110.450	H4	C2	F8	110.450
F5	C1	F6	109.130	F7	C2	F8	109.130

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

using model chemistry: B3LYP/3-21G

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	0.331
2	C	0.331
3	H	0.223
4	H	0.223
5	F	-0.277
6	F	-0.277
7	F	-0.277
8	F	-0.277

	x	y	z
x	2.888	0.041	0.000
y	0.041	2.812	0.000
z	0.000	0.000	3.184

<r²>	145.352
(<r²>)^1/2	12.056

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

using model chemistry: B3LYP/3-21G

States and conformations

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