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	hartrees
Energy at 0K	-476.793675
Energy at 298.15K	-476.797676
HF Energy	-476.793675
Nuclear repulsion energy	266.982951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3133	2990	0.00
2	A_g	1495	1427	0.00
3	A_g	1177	1123	0.00
4	A_g	1129	1078	0.00
5	A_g	635	606	0.00
6	A_g	364	348	0.00
7	A_u	1390	1326	46.96
8	A_u	1175	1121	417.76
9	A_u	204	195	2.58
10	A_u	81	77	2.34
11	B_g	1416	1352	0.00
12	B_g	1141	1089	0.00
13	B_g	489	467	0.00
14	B_u	3145	3002	59.99
15	B_u	1338	1277	31.26
16	B_u	1157	1104	246.10
17	B_u	549	524	9.88
18	B_u	414	395	49.51

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.719	0.000
C2	0.243	-0.719	0.000
H3	-1.332	0.785	0.000
H4	1.332	-0.785	0.000
F5	0.243	1.340	1.096
F6	0.243	1.340	-1.096
F7	-0.243	-1.340	1.096
F8	-0.243	-1.340	-1.096

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5185	1.0918	2.1780	1.3500	1.3500	2.3333	2.3333
C2	1.5185		2.1780	1.0918	2.3333	2.3333	1.3500	1.3500
H3	1.0918	2.1780		3.0928	1.9978	1.9978	2.6278	2.6278
H4	2.1780	1.0918	3.0928		2.6278	2.6278	1.9978	1.9978
F5	1.3500	2.3333	1.9978	2.6278		2.1920	2.7245	3.4968
F6	1.3500	2.3333	1.9978	2.6278	2.1920		3.4968	2.7245
F7	2.3333	1.3500	2.6278	1.9978	2.7245	3.4968		2.1920
F8	2.3333	1.3500	2.6278	1.9978	3.4968	2.7245	2.1920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.068	C1	C2	F7	108.723
C1	C2	F8	108.723	C2	C1	H3	112.068
C2	C1	F5	108.723	C2	C1	F6	108.723
H3	C1	F5	109.350	H3	C1	F6	109.350
H4	C2	F7	109.350	H4	C2	F8	109.350
F5	C1	F6	108.559	F7	C2	F8	108.559

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

using model chemistry: mPW1PW91/6-311G*

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	0.235
2	C	0.235
3	H	0.211
4	H	0.211
5	F	-0.223
6	F	-0.223
7	F	-0.223
8	F	-0.223

	x	y	z
x	3.365	-0.013	0.000
y	-0.013	3.386	0.000
z	0.000	0.000	3.560

<r²>	142.181
(<r²>)^1/2	11.924

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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