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	hartrees
Energy at 0K	-476.912448
Energy at 298.15K	-476.916403
HF Energy	-476.912448
Nuclear repulsion energy	265.338063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3093	2991	0.00
2	A_g	1460	1412	0.00
3	A_g	1147	1109	0.00
4	A_g	1107	1071	0.00
5	A_g	620	599	0.00
6	A_g	358	347	0.00
7	A_u	1363	1318	34.96
8	A_u	1131	1094	411.19
9	A_u	204	198	2.65
10	A_u	78	76	2.32
11	B_g	1390	1344	0.00
12	B_g	1099	1063	0.00
13	B_g	480	464	0.00
14	B_u	3105	3001	49.92
15	B_u	1318	1274	27.95
16	B_u	1123	1086	236.90
17	B_u	538	520	9.26
18	B_u	411	397	50.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.722	0.000
C2	0.245	-0.722	0.000
H3	-1.336	0.785	0.000
H4	1.336	-0.785	0.000
F5	0.245	1.349	1.103
F6	0.245	1.349	-1.103
F7	-0.245	-1.349	1.103
F8	-0.245	-1.349	-1.103

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5245	1.0924	2.1845	1.3603	1.3603	2.3458	2.3458
C2	1.5245		2.1845	1.0924	2.3458	2.3458	1.3603	1.3603
H3	1.0924	2.1845		3.0994	2.0086	2.0086	2.6382	2.6382
H4	2.1845	1.0924	3.0994		2.6382	2.6382	2.0086	2.0086
F5	1.3603	2.3458	2.0086	2.6382		2.2059	2.7416	3.5188
F6	1.3603	2.3458	2.0086	2.6382	2.2059		3.5188	2.7416
F7	2.3458	1.3603	2.6382	2.0086	2.7416	3.5188		2.2059
F8	2.3458	1.3603	2.6382	2.0086	3.5188	2.7416	2.2059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.131	C1	C2	F7	108.673
C1	C2	F8	108.673	C2	C1	H3	112.131
C2	C1	F5	108.673	C2	C1	F6	108.673
H3	C1	F5	109.469	H3	C1	F6	109.469
H4	C2	F7	109.469	H4	C2	F8	109.469
F5	C1	F6	108.347	F7	C2	F8	108.347

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

using model chemistry: B3LYP/6-311G**

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	0.336
2	C	0.336
3	H	0.114
4	H	0.114
5	F	-0.225
6	F	-0.225
7	F	-0.225
8	F	-0.225

	x	y	z
x	3.434	-0.019	0.000
y	-0.019	3.497	0.000
z	0.000	0.000	3.658

<r²>	143.790
(<r²>)^1/2	11.991

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

using model chemistry: B3LYP/6-311G**

States and conformations

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