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	hartrees
Energy at 0K	-469.984123
Energy at 298.15K	-469.987359
HF Energy	-469.984123
Nuclear repulsion energy	253.606170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3144	2806	0.00
2	A_g	1448	1292	0.00
3	A_g	1144	1021	0.00
4	A_g	987	881	0.00
5	A_g	583	520	0.00
6	A_g	307	274	0.00
7	A_u	1408	1257	57.62
8	A_u	1213	1083	79.73
9	A_u	152	136	0.41
10	A_u	18	16	0.82
11	B_g	1454	1297	0.00
12	B_g	1207	1077	0.00
13	B_g	431	385	0.00
14	B_u	3155	2815	50.10
15	B_u	1321	1179	56.88
16	B_u	1161	1036	63.91
17	B_u	493	440	7.83
18	B_u	378	337	14.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.247	0.786	0.000
C2	0.247	-0.786	0.000
H3	-1.380	0.806	0.000
H4	1.380	-0.806	0.000
F5	0.247	1.432	1.143
F6	0.247	1.432	-1.143
F7	-0.247	-1.432	1.143
F8	-0.247	-1.432	-1.143

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.6474	1.1330	2.2759	1.4031	1.4031	2.4955	2.4955
C2	1.6474		2.2759	1.1330	2.4955	2.4955	1.4031	1.4031
H3	1.1330	2.2759		3.1958	2.0844	2.0844	2.7570	2.7570
H4	2.2759	1.1330	3.1958		2.7570	2.7570	2.0844	2.0844
F5	1.4031	2.4955	2.0844	2.7570		2.2862	2.9072	3.6985
F6	1.4031	2.4955	2.0844	2.7570	2.2862		3.6985	2.9072
F7	2.4955	1.4031	2.7570	2.0844	2.9072	3.6985		2.2862
F8	2.4955	1.4031	2.7570	2.0844	3.6985	2.9072	2.2862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	108.466	C1	C2	F7	109.526
C1	C2	F8	109.526	C2	C1	H3	108.466
C2	C1	F5	109.526	C2	C1	F6	109.526
H3	C1	F5	110.097	H3	C1	F6	110.097
H4	C2	F7	110.097	H4	C2	F8	110.097
F5	C1	F6	109.116	F7	C2	F8	109.116

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

using model chemistry: B3LYP/STO-3G

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	0.118
2	C	0.118
3	H	0.070
4	H	0.070
5	F	-0.094
6	F	-0.094
7	F	-0.094
8	F	-0.094

	x	y	z
x	1.881	0.114	0.000
y	0.114	2.336	0.000
z	0.000	0.000	2.464

<r²>	154.145
(<r²>)^1/2	12.415

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

using model chemistry: B3LYP/STO-3G

States and conformations

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