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	hartrees
Energy at 0K	-476.917019
Energy at 298.15K	-476.920814
HF Energy	-476.917019
Nuclear repulsion energy	261.781710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3011	3004	0.00
2	A_g	1392	1389	0.00
3	A_g	1075	1073	0.00
4	A_g	1055	1052	0.00
5	A_g	590	588	0.00
6	A_g	343	342	0.00
7	A_u	1309	1306	16.30
8	A_u	1034	1031	430.43
9	A_u	202	202	2.66
10	A_u	74	73	2.21
11	B_g	1338	1335	0.00
12	B_g	1001	998	0.00
13	B_g	455	454	0.00
14	B_u	3022	3015	41.60
15	B_u	1281	1278	21.71
16	B_u	1050	1048	221.52
17	B_u	513	511	7.47
18	B_u	401	400	49.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.730	0.000
C2	0.249	-0.730	0.000
H3	-1.345	0.804	0.000
H4	1.345	-0.804	0.000
F5	0.249	1.368	1.118
F6	0.249	1.368	-1.118
F7	-0.249	-1.368	1.118
F8	-0.249	-1.368	-1.118

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5422	1.0984	2.2117	1.3802	1.3802	2.3771	2.3771
C2	1.5422		2.2117	1.0984	2.3771	2.3771	1.3802	1.3802
H3	1.0984	2.2117		3.1333	2.0269	2.0269	2.6771	2.6771
H4	2.2117	1.0984	3.1333		2.6771	2.6771	2.0269	2.0269
F5	1.3802	2.3771	2.0269	2.6771		2.2361	2.7807	3.5683
F6	1.3802	2.3771	2.0269	2.6771	2.2361		3.5683	2.7807
F7	2.3771	1.3802	2.6771	2.0269	2.7807	3.5683		2.2361
F8	2.3771	1.3802	2.6771	2.0269	3.5683	2.7807	2.2361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.685	C1	C2	F7	108.731
C1	C2	F8	108.731	C2	C1	H3	112.685
C2	C1	F5	108.731	C2	C1	F6	108.731
H3	C1	F5	109.194	H3	C1	F6	109.194
H4	C2	F7	109.194	H4	C2	F8	109.194
F5	C1	F6	108.206	F7	C2	F8	108.206

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

using model chemistry: BLYP/TZVP

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	0.220
2	C	0.220
3	H	0.122
4	H	0.122
5	F	-0.171
6	F	-0.171
7	F	-0.171
8	F	-0.171

	x	y	z
x	3.939	0.069	0.000
y	0.069	4.196	0.000
z	0.000	0.000	4.423

<r²>	147.798
(<r²>)^1/2	12.157

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

using model chemistry: BLYP/TZVP

States and conformations

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