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	hartrees
Energy at 0K	-476.559945
Energy at 298.15K	-476.563763
HF Energy	-476.559945
Nuclear repulsion energy	262.743062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3059	3006	0.00
2	A_g	1413	1389	0.00
3	A_g	1103	1084	0.00
4	A_g	1069	1051	0.00
5	A_g	594	584	0.00
6	A_g	346	340	0.00
7	A_u	1311	1289	24.12
8	A_u	1076	1057	459.20
9	A_u	201	198	2.14
10	A_u	76	74	2.09
11	B_g	1341	1318	0.00
12	B_g	1040	1022	0.00
13	B_g	459	451	0.00
14	B_u	3069	3016	44.20
15	B_u	1287	1265	23.86
16	B_u	1076	1058	235.29
17	B_u	514	505	8.08
18	B_u	405	398	48.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.729	0.000
C2	0.249	-0.729	0.000
H3	-1.344	0.805	0.000
H4	1.344	-0.805	0.000
F5	0.249	1.362	1.114
F6	0.249	1.362	-1.114
F7	-0.249	-1.362	1.114
F8	-0.249	-1.362	-1.114

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5399	1.0981	2.2114	1.3744	1.3744	2.3686	2.3686
C2	1.5399		2.2114	1.0981	2.3686	2.3686	1.3744	1.3744
H3	1.0981	2.2114		3.1338	2.0218	2.0218	2.6713	2.6713
H4	2.2114	1.0981	3.1338		2.6713	2.6713	2.0218	2.0218
F5	1.3744	2.3686	2.0218	2.6713		2.2279	2.7683	3.5534
F6	1.3744	2.3686	2.0218	2.6713	2.2279		3.5534	2.7683
F7	2.3686	1.3744	2.6713	2.0218	2.7683	3.5534		2.2279
F8	2.3686	1.3744	2.6713	2.0218	3.5534	2.7683	2.2279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.844	C1	C2	F7	108.595
C1	C2	F8	108.595	C2	C1	H3	112.844
C2	C1	F5	108.595	C2	C1	F6	108.595
H3	C1	F5	109.208	H3	C1	F6	109.208
H4	C2	F7	109.208	H4	C2	F8	109.208
F5	C1	F6	108.290	F7	C2	F8	108.290

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

using model chemistry: B97D3/6-31+G**

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	0.394
2	C	0.394
3	H	0.163
4	H	0.163
5	F	-0.278
6	F	-0.278
7	F	-0.278
8	F	-0.278

	x	y	z
x	4.177	0.096	0.000
y	0.096	4.498	0.000
z	0.000	0.000	4.700

<r²>	146.615
(<r²>)^1/2	12.108

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

using model chemistry: B97D3/6-31+G**

States and conformations

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