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	hartrees
Energy at 0K	-476.532862
Energy at 298.15K	-476.536708
HF Energy	-476.532862
Nuclear repulsion energy	262.259283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3200	3052	0.00
2	A_g	1478	1410	0.00
3	A_g	1187	1132	0.00
4	A_g	1087	1037	0.00
5	A_g	595	568	0.00
6	A_g	341	326	0.00
7	A_u	1374	1310	28.20
8	A_u	1155	1102	290.04
9	A_u	186	178	3.73
10	A_u	83	79	3.49
11	B_g	1402	1337	0.00
12	B_g	1110	1058	0.00
13	B_g	474	452	0.00
14	B_u	3213	3064	23.78
15	B_u	1332	1270	20.93
16	B_u	1111	1060	172.68
17	B_u	500	477	16.10
18	B_u	400	382	68.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.253	0.709	0.000
C2	0.253	-0.709	0.000
H3	-1.337	0.776	0.000
H4	1.337	-0.776	0.000
F5	0.253	1.348	1.129
F6	0.253	1.348	-1.129
F7	-0.253	-1.348	1.129
F8	-0.253	-1.348	-1.129

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5062	1.0862	2.1758	1.3928	1.3928	2.3471	2.3471
C2	1.5062		2.1758	1.0862	2.3471	2.3471	1.3928	1.3928
H3	1.0862	2.1758		3.0918	2.0328	2.0328	2.6386	2.6386
H4	2.1758	1.0862	3.0918		2.6386	2.6386	2.0328	2.0328
F5	1.3928	2.3471	2.0328	2.6386		2.2587	2.7437	3.5538
F6	1.3928	2.3471	2.0328	2.6386	2.2587		3.5538	2.7437
F7	2.3471	1.3928	2.6386	2.0328	2.7437	3.5538		2.2587
F8	2.3471	1.3928	2.6386	2.0328	3.5538	2.7437	2.2587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.143	C1	C2	F7	108.057
C1	C2	F8	108.057	C2	C1	H3	113.143
C2	C1	F5	108.057	C2	C1	F6	108.057
H3	C1	F5	109.553	H3	C1	F6	109.553
H4	C2	F7	109.553	H4	C2	F8	109.553
F5	C1	F6	108.354	F7	C2	F8	108.354

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

using model chemistry: B1B95/6-31G

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	0.392
2	C	0.392
3	H	0.213
4	H	0.213
5	F	-0.303
6	F	-0.303
7	F	-0.303
8	F	-0.303

	x	y	z
x	2.947	0.091	0.000
y	0.091	3.024	0.000
z	0.000	0.000	3.522

<r²>	146.143
(<r²>)^1/2	12.089

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

using model chemistry: B1B95/6-31G

States and conformations

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