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	hartrees
Energy at 0K	-474.166818
Energy at 298.15K	-474.170657
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	3003	0.00
2	A_g	1484	1427	0.00
3	A_g	1142	1099	0.00
4	A_g	1091	1049	0.00
5	A_g	594	571	0.00
6	A_g	344	331	0.00
7	A_u	1404	1351	48.95
8	A_u	1182	1137	222.77
9	A_u	187	179	3.57
10	A_u	85	81	1.96
11	B_g	1421	1367	0.00
12	B_g	1128	1085	0.00
13	B_g	466	448	0.00
14	B_u	3138	3019	61.19
15	B_u	1353	1301	21.94
16	B_u	1123	1080	149.17
17	B_u	508	488	11.67
18	B_u	383	368	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)