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	hartrees
Energy at 0K	-474.090544
Energy at 298.15K	-474.094245
HF Energy	-474.090544
Nuclear repulsion energy	259.576534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3010	2994	0.00
2	A_g	1427	1420	0.00
3	A_g	1079	1073	0.00
4	A_g	1046	1040	0.00
5	A_g	569	566	0.00
6	A_g	331	329	0.00
7	A_u	1354	1346	42.83
8	A_u	1116	1110	219.59
9	A_u	181	180	3.18
10	A_u	80	79	1.34
11	B_g	1372	1364	0.00
12	B_g	1056	1051	0.00
13	B_g	442	440	0.00
14	B_u	3027	3010	82.91
15	B_u	1308	1301	19.51
16	B_u	1068	1063	136.20
17	B_u	488	485	8.67
18	B_u	365	363	47.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.253	0.722	0.000
C2	0.253	-0.722	0.000
H3	-1.352	0.746	0.000
H4	1.352	-0.746	0.000
F5	0.253	1.359	1.145
F6	0.253	1.359	-1.145
F7	-0.253	-1.359	1.145
F8	-0.253	-1.359	-1.145

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5297	1.0997	2.1753	1.4048	1.4048	2.3750	2.3750
C2	1.5297		2.1753	1.0997	2.3750	2.3750	1.4048	1.4048
H3	1.0997	2.1753		3.0891	2.0650	2.0650	2.6365	2.6365
H4	2.1753	1.0997	3.0891		2.6365	2.6365	2.0650	2.0650
F5	1.4048	2.3750	2.0650	2.6365		2.2910	2.7639	3.5900
F6	1.4048	2.3750	2.0650	2.6365	2.2910		3.5900	2.7639
F7	2.3750	1.4048	2.6365	2.0650	2.7639	3.5900		2.2910
F8	2.3750	1.4048	2.6365	2.0650	3.5900	2.7639	2.2910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.580	C1	C2	F7	107.982
C1	C2	F8	107.982	C2	C1	H3	110.580
C2	C1	F5	107.982	C2	C1	F6	107.982
H3	C1	F5	110.484	H3	C1	F6	110.484
H4	C2	F7	110.484	H4	C2	F8	110.484
F5	C1	F6	109.253	F7	C2	F8	109.253

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

using model chemistry: BLYP/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	0.281
2	C	0.281
3	H	0.203
4	H	0.203
5	F	-0.242
6	F	-0.242
7	F	-0.242
8	F	-0.242

	x	y	z
x	3.042	0.045	0.000
y	0.045	3.028	0.000
z	0.000	0.000	3.396

<r²>	147.966
(<r²>)^1/2	12.164

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

using model chemistry: BLYP/3-21G

States and conformations

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