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	hartrees
Energy at 0K	-476.339824
Energy at 298.15K	-476.343788
HF Energy	-476.339824
Nuclear repulsion energy	266.098438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3135	2994	0.00
2	A_g	1476	1410	0.00
3	A_g	1169	1117	0.00
4	A_g	1120	1070	0.00
5	A_g	627	599	0.00
6	A_g	359	343	0.00
7	A_u	1354	1293	39.75
8	A_u	1172	1120	433.90
9	A_u	201	192	2.19
10	A_u	80	77	2.53
11	B_g	1384	1322	0.00
12	B_g	1136	1086	0.00
13	B_g	484	462	0.00
14	B_u	3145	3005	34.44
15	B_u	1320	1261	25.41
16	B_u	1153	1101	236.24
17	B_u	539	515	10.61
18	B_u	413	395	50.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.721	0.000
C2	0.246	-0.721	0.000
H3	-1.338	0.791	0.000
H4	1.338	-0.791	0.000
F5	0.246	1.344	1.099
F6	0.246	1.344	-1.099
F7	-0.246	-1.344	1.099
F8	-0.246	-1.344	-1.099

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5237	1.0947	2.1898	1.3554	1.3554	2.3395	2.3395
C2	1.5237		2.1898	1.0947	2.3395	2.3395	1.3554	1.3554
H3	1.0947	2.1898		3.1089	2.0057	2.0057	2.6381	2.6381
H4	2.1898	1.0947	3.1089		2.6381	2.6381	2.0057	2.0057
F5	1.3554	2.3395	2.0057	2.6381		2.1977	2.7330	3.5070
F6	1.3554	2.3395	2.0057	2.6381	2.1977		3.5070	2.7330
F7	2.3395	1.3554	2.6381	2.0057	2.7330	3.5070		2.1977
F8	2.3395	1.3554	2.6381	2.0057	3.5070	2.7330	2.1977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.467	C1	C2	F7	108.552
C1	C2	F8	108.552	C2	C1	H3	112.467
C2	C1	F5	108.552	C2	C1	F6	108.552
H3	C1	F5	109.427	H3	C1	F6	109.427
H4	C2	F7	109.427	H4	C2	F8	109.427
F5	C1	F6	108.325	F7	C2	F8	108.325

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

using model chemistry: PBE1PBE/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	0.405
2	C	0.405
3	H	0.177
4	H	0.177
5	F	-0.291
6	F	-0.291
7	F	-0.291
8	F	-0.291

	x	y	z
x	3.985	0.082	0.000
y	0.082	4.189	0.000
z	0.000	0.000	4.373

<r²>	143.372
(<r²>)^1/2	11.974

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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