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	hartrees
Energy at 0K	-473.694016
Energy at 298.15K	-473.697747
HF Energy	-473.694016
Nuclear repulsion energy	260.727623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3016	2988	0.00
2	A_g	1428	1415	0.00
3	A_g	1102	1092	0.00
4	A_g	1060	1050	0.00
5	A_g	577	572	0.00
6	A_g	334	331	0.00
7	A_u	1352	1340	47.10
8	A_u	1146	1135	216.37
9	A_u	180	178	3.04
10	A_u	81	80	1.40
11	B_g	1370	1357	0.00
12	B_g	1085	1075	0.00
13	B_g	447	443	0.00
14	B_u	3033	3005	77.04
15	B_u	1305	1293	17.00
16	B_u	1091	1081	136.36
17	B_u	493	488	9.03
18	B_u	364	360	47.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.252	0.719	0.000
C2	0.252	-0.719	0.000
H3	-1.353	0.742	0.000
H4	1.353	-0.742	0.000
F5	0.252	1.352	1.140
F6	0.252	1.352	-1.140
F7	-0.252	-1.352	1.140
F8	-0.252	-1.352	-1.140

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5240	1.1018	2.1704	1.3979	1.3979	2.3642	2.3642
C2	1.5240		2.1704	1.1018	2.3642	2.3642	1.3979	1.3979
H3	1.1018	2.1704		3.0865	2.0613	2.0613	2.6262	2.6262
H4	2.1704	1.1018	3.0865		2.6262	2.6262	2.0613	2.0613
F5	1.3979	2.3642	2.0613	2.6262		2.2808	2.7500	3.5727
F6	1.3979	2.3642	2.0613	2.6262	2.2808		3.5727	2.7500
F7	2.3642	1.3979	2.6262	2.0613	2.7500	3.5727		2.2808
F8	2.3642	1.3979	2.6262	2.0613	3.5727	2.7500	2.2808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.465	C1	C2	F7	107.945
C1	C2	F8	107.945	C2	C1	H3	110.465
C2	C1	F5	107.945	C2	C1	F6	107.945
H3	C1	F5	110.538	H3	C1	F6	110.538
H4	C2	F7	110.538	H4	C2	F8	110.538
F5	C1	F6	109.330	F7	C2	F8	109.330

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

using model chemistry: PBEPBE/3-21G

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	0.255
2	C	0.255
3	H	0.228
4	H	0.228
5	F	-0.241
6	F	-0.241
7	F	-0.241
8	F	-0.241

	x	y	z
x	3.045	0.034	0.000
y	0.034	3.012	0.000
z	0.000	0.000	3.370

<r²>	146.794
(<r²>)^1/2	12.116

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

using model chemistry: PBEPBE/3-21G

States and conformations

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