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	hartrees
Energy at 0K	-473.933536
Energy at 298.15K	-473.937299
HF Energy	-473.933536
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3049	2997	0.00
2	A_g	1440	1416	0.00
3	A_g	1092	1073	0.00
4	A_g	1058	1040	0.00
5	A_g	575	565	0.00
6	A_g	337	332	0.00
7	A_u	1363	1340	43.74
8	A_u	1134	1115	235.61
9	A_u	190	186	3.40
10	A_u	81	79	1.60
11	B_g	1381	1358	0.00
12	B_g	1076	1058	0.00
13	B_g	449	442	0.00
14	B_u	3066	3014	81.26
15	B_u	1320	1298	19.38
16	B_u	1082	1064	149.83
17	B_u	495	486	9.62
18	B_u	376	370	52.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.252	0.721	0.000
C2	0.252	-0.721	0.000
H3	-1.347	0.749	0.000
H4	1.347	-0.749	0.000
F5	0.252	1.354	1.141
F6	0.252	1.354	-1.141
F7	-0.252	-1.354	1.141
F8	-0.252	-1.354	-1.141

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5273	1.0956	2.1725	1.3987	1.3987	2.3676	2.3676
C2	1.5273		2.1725	1.0956	2.3676	2.3676	1.3987	1.3987
H3	1.0956	2.1725		3.0835	2.0557	2.0557	2.6313	2.6313
H4	2.1725	1.0956	3.0835		2.6313	2.6313	2.0557	2.0557
F5	1.3987	2.3676	2.0557	2.6313		2.2813	2.7545	3.5765
F6	1.3987	2.3676	2.0557	2.6313	2.2813		3.5765	2.7545
F7	2.3676	1.3987	2.6313	2.0557	2.7545	3.5765		2.2813
F8	2.3676	1.3987	2.6313	2.0557	3.5765	2.7545	2.2813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.771	C1	C2	F7	107.948
C1	C2	F8	107.948	C2	C1	H3	110.771
C2	C1	F5	107.948	C2	C1	F6	107.948
H3	C1	F5	110.415	H3	C1	F6	110.415
H4	C2	F7	110.415	H4	C2	F8	110.415
F5	C1	F6	109.269	F7	C2	F8	109.269

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

using model chemistry: B97D3/3-21G

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	0.301
2	C	0.301
3	H	0.229
4	H	0.229
5	F	-0.265
6	F	-0.265
7	F	-0.265
8	F	-0.265

	x	y	z
x	2.984	0.036	0.000
y	0.036	2.981	0.000
z	0.000	0.000	3.339

<r²>	147.103
(<r²>)^1/2	12.129

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

using model chemistry: B97D3/3-21G

States and conformations

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