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	hartrees
Energy at 0K	-476.730969
Energy at 298.15K	-476.734841
HF Energy	-476.730969
Nuclear repulsion energy	263.439173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3028	2984	0.00
2	A_g	1413	1392	0.00
3	A_g	1098	1083	0.00
4	A_g	1070	1054	0.00
5	A_g	604	595	0.00
6	A_g	351	346	0.00
7	A_u	1327	1308	21.32
8	A_u	1071	1056	447.59
9	A_u	208	205	2.61
10	A_u	76	75	2.05
11	B_g	1357	1337	0.00
12	B_g	1038	1023	0.00
13	B_g	464	457	0.00
14	B_u	3040	2996	54.01
15	B_u	1296	1278	24.33
16	B_u	1078	1062	235.10
17	B_u	527	519	7.47
18	B_u	407	401	48.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.730	0.000
C2	0.246	-0.730	0.000
H3	-1.341	0.799	0.000
H4	1.341	-0.799	0.000
F5	0.246	1.360	1.110
F6	0.246	1.360	-1.110
F7	-0.246	-1.360	1.110
F8	-0.246	-1.360	-1.110

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5404	1.0971	2.2037	1.3681	1.3681	2.3668	2.3668
C2	1.5404		2.2037	1.0971	2.3668	2.3668	1.3681	1.3681
H3	1.0971	2.2037		3.1220	2.0161	2.0161	2.6638	2.6638
H4	2.2037	1.0971	3.1220		2.6638	2.6638	2.0161	2.0161
F5	1.3681	2.3668	2.0161	2.6638		2.2203	2.7649	3.5460
F6	1.3681	2.3668	2.0161	2.6638	2.2203		3.5460	2.7649
F7	2.3668	1.3681	2.6638	2.0161	2.7649	3.5460		2.2203
F8	2.3668	1.3681	2.6638	2.0161	3.5460	2.7649	2.2203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.248	C1	C2	F7	108.784
C1	C2	F8	108.784	C2	C1	H3	112.248
C2	C1	F5	108.784	C2	C1	F6	108.784
H3	C1	F5	109.240	H3	C1	F6	109.240
H4	C2	F7	109.240	H4	C2	F8	109.240
F5	C1	F6	108.472	F7	C2	F8	108.472

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

using model chemistry: B97D3/TZVP

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	0.228
2	C	0.228
3	H	0.105
4	H	0.105
5	F	-0.166
6	F	-0.166
7	F	-0.166
8	F	-0.166

	x	y	z
x	3.865	0.064	0.000
y	0.064	4.076	0.000
z	0.000	0.000	4.290

<r²>	145.980
(<r²>)^1/2	12.082

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

using model chemistry: B97D3/TZVP

States and conformations

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