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	hartrees
Energy at 0K	-473.711656
Energy at 298.15K	-473.715542
HF Energy	-473.711656
Nuclear repulsion energy	263.633888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3145	3021	0.00
2	A_g	1495	1436	0.00
3	A_g	1168	1121	0.00
4	A_g	1108	1064	0.00
5	A_g	603	579	0.00
6	A_g	347	334	0.00
7	A_u	1411	1355	55.37
8	A_u	1215	1167	218.87
9	A_u	185	178	3.50
10	A_u	86	83	2.19
11	B_g	1428	1371	0.00
12	B_g	1162	1116	0.00
13	B_g	473	454	0.00
14	B_u	3163	3037	53.88
15	B_u	1357	1303	20.39
16	B_u	1149	1104	152.45
17	B_u	514	493	12.64
18	B_u	384	368	57.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	0.712	0.000
C2	0.250	-0.712	0.000
H3	-1.340	0.739	0.000
H4	1.340	-0.739	0.000
F5	0.250	1.339	1.126
F6	0.250	1.339	-1.126
F7	-0.250	-1.339	1.126
F8	-0.250	-1.339	-1.126

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5093	1.0903	2.1521	1.3817	1.3817	2.3395	2.3395
C2	1.5093		2.1521	1.0903	2.3395	2.3395	1.3817	1.3817
H3	1.0903	2.1521		3.0599	2.0377	2.0377	2.6024	2.6024
H4	2.1521	1.0903	3.0599		2.6024	2.6024	2.0377	2.0377
F5	1.3817	2.3395	2.0377	2.6024		2.2518	2.7232	3.5336
F6	1.3817	2.3395	2.0377	2.6024	2.2518		3.5336	2.7232
F7	2.3395	1.3817	2.6024	2.0377	2.7232	3.5336		2.2518
F8	2.3395	1.3817	2.6024	2.0377	3.5336	2.7232	2.2518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.726	C1	C2	F7	107.959
C1	C2	F8	107.959	C2	C1	H3	110.726
C2	C1	F5	107.959	C2	C1	F6	107.959
H3	C1	F5	110.483	H3	C1	F6	110.483
H4	C2	F7	110.483	H4	C2	F8	110.483
F5	C1	F6	109.150	F7	C2	F8	109.150

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

using model chemistry: PBE1PBE/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	0.321
2	C	0.321
3	H	0.249
4	H	0.249
5	F	-0.285
6	F	-0.285
7	F	-0.285
8	F	-0.285

	x	y	z
x	2.861	0.031	0.000
y	0.031	2.769	0.000
z	0.000	0.000	3.133

<r²>	144.251
(<r²>)^1/2	12.010

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

using model chemistry: PBE1PBE/3-21G

States and conformations

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