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	hartrees
Energy at 0K	-476.730762
Energy at 298.15K	-476.734720
HF Energy	-476.730762
Nuclear repulsion energy	265.745426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3130	2999	0.00
2	A_g	1462	1401	0.00
3	A_g	1163	1115	0.00
4	A_g	1109	1063	0.00
5	A_g	622	596	0.00
6	A_g	357	343	0.00
7	A_u	1333	1278	22.52
8	A_u	1150	1102	422.19
9	A_u	201	193	1.81
10	A_u	80	76	2.32
11	B_g	1362	1306	0.00
12	B_g	1112	1066	0.00
13	B_g	480	460	0.00
14	B_u	3140	3009	33.60
15	B_u	1306	1252	20.59
16	B_u	1136	1088	222.52
17	B_u	534	512	9.20
18	B_u	408	391	46.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.721	0.000
C2	0.246	-0.721	0.000
H3	-1.341	0.791	0.000
H4	1.341	-0.791	0.000
F5	0.246	1.347	1.100
F6	0.246	1.347	-1.100
F7	-0.246	-1.347	1.100
F8	-0.246	-1.347	-1.100

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5228	1.0976	2.1917	1.3577	1.3577	2.3417	2.3417
C2	1.5228		2.1917	1.0976	2.3417	2.3417	1.3577	1.3577
H3	1.0976	2.1917		3.1141	2.0095	2.0095	2.6417	2.6417
H4	2.1917	1.0976	3.1141		2.6417	2.6417	2.0095	2.0095
F5	1.3577	2.3417	2.0095	2.6417		2.1993	2.7383	3.5122
F6	1.3577	2.3417	2.0095	2.6417	2.1993		3.5122	2.7383
F7	2.3417	1.3577	2.6417	2.0095	2.7383	3.5122		2.1993
F8	2.3417	1.3577	2.6417	2.0095	3.5122	2.7383	2.1993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.507	C1	C2	F7	108.634
C1	C2	F8	108.634	C2	C1	H3	112.507
C2	C1	F5	108.634	C2	C1	F6	108.634
H3	C1	F5	109.395	H3	C1	F6	109.395
H4	C2	F7	109.395	H4	C2	F8	109.395
F5	C1	F6	108.177	F7	C2	F8	108.177

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	1.104
2	C	1.104
3	H	-0.240
4	H	-0.240
5	F	-0.432
6	F	-0.432
7	F	-0.432
8	F	-0.432

	x	y	z
x	4.237	0.082	0.000
y	0.082	4.593	0.000
z	0.000	0.000	4.697

<r²>	143.597
(<r²>)^1/2	11.983

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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