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	hartrees
Energy at 0K	-476.974113
Energy at 298.15K	-476.978077
HF Energy	-476.974113
Nuclear repulsion energy	265.104938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3094	2987	0.00
2	A_g	1457	1407	0.00
3	A_g	1140	1101	0.00
4	A_g	1103	1065	0.00
5	A_g	622	600	0.00
6	A_g	359	347	0.00
7	A_u	1362	1315	24.39
8	A_u	1119	1081	438.24
9	A_u	209	202	2.87
10	A_u	78	75	2.54
11	B_g	1392	1344	0.00
12	B_g	1088	1050	0.00
13	B_g	479	463	0.00
14	B_u	3106	2998	39.70
15	B_u	1328	1282	26.04
16	B_u	1118	1080	238.12
17	B_u	540	521	9.39
18	B_u	416	402	53.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.724	0.000
C2	0.245	-0.724	0.000
H3	-1.335	0.792	0.000
H4	1.335	-0.792	0.000
F5	0.245	1.352	1.102
F6	0.245	1.352	-1.102
F7	-0.245	-1.352	1.102
F8	-0.245	-1.352	-1.102

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5298	1.0918	2.1905	1.3600	1.3600	2.3510	2.3510
C2	1.5298		2.1905	1.0918	2.3510	2.3510	1.3600	1.3600
H3	1.0918	2.1905		3.1049	2.0064	2.0064	2.6460	2.6460
H4	2.1905	1.0918	3.1049		2.6460	2.6460	2.0064	2.0064
F5	1.3600	2.3510	2.0064	2.6460		2.2044	2.7485	3.5233
F6	1.3600	2.3510	2.0064	2.6460	2.2044		3.5233	2.7485
F7	2.3510	1.3600	2.6460	2.0064	2.7485	3.5233		2.2044
F8	2.3510	1.3600	2.6460	2.0064	3.5233	2.7485	2.2044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.274	C1	C2	F7	108.749
C1	C2	F8	108.749	C2	C1	H3	112.274
C2	C1	F5	108.749	C2	C1	F6	108.749
H3	C1	F5	109.353	H3	C1	F6	109.353
H4	C2	F7	109.353	H4	C2	F8	109.353
F5	C1	F6	108.277	F7	C2	F8	108.277

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

using model chemistry: B3LYP/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	0.249
2	C	0.249
3	H	0.122
4	H	0.122
5	F	-0.185
6	F	-0.185
7	F	-0.185
8	F	-0.185

	x	y	z
x	3.736	0.066	0.000
y	0.066	3.905	0.000
z	0.000	0.000	4.121

<r²>	144.578
(<r²>)^1/2	12.024

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

using model chemistry: B3LYP/TZVP

States and conformations

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