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	hartrees
Energy at 0K	-476.188663
Energy at 298.15K	-476.192545
HF Energy	-476.188663
Nuclear repulsion energy	261.940883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3192	3051	0.00
2	A_g	1477	1412	0.00
3	A_g	1188	1136	0.00
4	A_g	1089	1041	0.00
5	A_g	597	571	0.00
6	A_g	347	332	0.00
7	A_u	1373	1312	27.79
8	A_u	1156	1105	290.66
9	A_u	196	187	3.86
10	A_u	85	81	3.20
11	B_g	1401	1339	0.00
12	B_g	1112	1063	0.00
13	B_g	476	455	0.00
14	B_u	3205	3063	25.08
15	B_u	1332	1273	19.68
16	B_u	1112	1063	171.87
17	B_u	503	481	15.59
18	B_u	405	387	67.51

Atom	x (Å)	y (Å)	z (Å)
C1	-0.253	0.710	0.000
C2	0.253	-0.710	0.000
H3	-1.340	0.777	0.000
H4	1.340	-0.777	0.000
F5	0.253	1.351	1.130
F6	0.253	1.351	-1.130
F7	-0.253	-1.351	1.130
F8	-0.253	-1.351	-1.130

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5082	1.0889	2.1788	1.3940	1.3940	2.3507	2.3507
C2	1.5082		2.1788	1.0889	2.3507	2.3507	1.3940	1.3940
H3	1.0889	2.1788		3.0969	2.0355	2.0355	2.6427	2.6427
H4	2.1788	1.0889	3.0969		2.6427	2.6427	2.0355	2.0355
F5	1.3940	2.3507	2.0355	2.6427		2.2609	2.7481	3.5586
F6	1.3940	2.3507	2.0355	2.6427	2.2609		3.5586	2.7481
F7	2.3507	1.3940	2.6427	2.0355	2.7481	3.5586		2.2609
F8	2.3507	1.3940	2.6427	2.0355	3.5586	2.7481	2.2609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.060	C1	C2	F7	108.125
C1	C2	F8	108.125	C2	C1	H3	113.060
C2	C1	F5	108.125	C2	C1	F6	108.125
H3	C1	F5	109.519	H3	C1	F6	109.519
H4	C2	F7	109.519	H4	C2	F8	109.519
F5	C1	F6	108.378	F7	C2	F8	108.378

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

using model chemistry: PBE1PBE/6-31G

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	0.386
2	C	0.386
3	H	0.219
4	H	0.219
5	F	-0.303
6	F	-0.303
7	F	-0.303
8	F	-0.303

	x	y	z
x	2.961	0.091	0.000
y	0.091	3.038	0.000
z	0.000	0.000	3.538

<r²>	146.515
(<r²>)^1/2	12.104

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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