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	hartrees
Energy at 0K	-474.712799
Energy at 298.15K	-474.717044
HF Energy	-474.712799
Nuclear repulsion energy	268.734730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3301	3006	0.00
2	A_g	1619	1474	0.00
3	A_g	1267	1154	0.00
4	A_g	1198	1091	0.00
5	A_g	672	612	0.00
6	A_g	387	353	0.00
7	A_u	1466	1335	42.66
8	A_u	1257	1145	459.51
9	A_u	222	202	2.50
10	A_u	95	87	3.10
11	B_g	1497	1363	0.00
12	B_g	1225	1116	0.00
13	B_g	525	478	0.00
14	B_u	3311	3015	40.39
15	B_u	1427	1300	36.30
16	B_u	1224	1115	282.41
17	B_u	580	528	12.43
18	B_u	447	407	60.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.717	0.000
C2	0.244	-0.717	0.000
H3	-1.327	0.785	0.000
H4	1.327	-0.785	0.000
F5	0.244	1.337	1.083
F6	0.244	1.337	-1.083
F7	-0.244	-1.337	1.083
F8	-0.244	-1.337	-1.083

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5156	1.0854	2.1741	1.3395	1.3395	2.3222	2.3222
C2	1.5156		2.1741	1.0854	2.3222	2.3222	1.3395	1.3395
H3	1.0854	2.1741		3.0843	1.9864	1.9864	2.6170	2.6170
H4	2.1741	1.0854	3.0843		2.6170	2.6170	1.9864	1.9864
F5	1.3395	2.3222	1.9864	2.6170		2.1654	2.7181	3.4752
F6	1.3395	2.3222	1.9864	2.6170	2.1654		3.4752	2.7181
F7	2.3222	1.3395	2.6170	1.9864	2.7181	3.4752		2.1654
F8	2.3222	1.3395	2.6170	1.9864	3.4752	2.7181	2.1654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.358	C1	C2	F7	108.697
C1	C2	F8	108.697	C2	C1	H3	112.358
C2	C1	F5	108.697	C2	C1	F6	108.697
H3	C1	F5	109.560	H3	C1	F6	109.560
H4	C2	F7	109.560	H4	C2	F8	109.560
F5	C1	F6	107.858	F7	C2	F8	107.858

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

using model chemistry: HF/aug-cc-pVDZ

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	1.340
2	C	1.340
3	H	-0.170
4	H	-0.170
5	F	-0.585
6	F	-0.585
7	F	-0.585
8	F	-0.585

	x	y	z
x	3.790	0.059	0.000
y	0.059	4.036	0.000
z	0.000	0.000	4.109

<r²>	141.172
(<r²>)^1/2	11.882

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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