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	hartrees
Energy at 0K	-476.760482
Energy at 298.15K	-476.764423
HF Energy	-476.760482
Nuclear repulsion energy	265.472516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3106	2983	0.00
2	A_g	1487	1428	0.00
3	A_g	1163	1116	0.00
4	A_g	1125	1081	0.00
5	A_g	622	597	0.00
6	A_g	357	342	0.00
7	A_u	1392	1337	57.08
8	A_u	1171	1124	350.36
9	A_u	199	191	2.10
10	A_u	83	79	1.97
11	B_g	1420	1363	0.00
12	B_g	1139	1094	0.00
13	B_g	484	465	0.00
14	B_u	3117	2994	66.53
15	B_u	1337	1284	35.29
16	B_u	1147	1102	209.50
17	B_u	533	512	8.68
18	B_u	414	398	44.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.722	0.000
C2	0.245	-0.722	0.000
H3	-1.338	0.780	0.000
H4	1.338	-0.780	0.000
F5	0.245	1.344	1.106
F6	0.245	1.344	-1.106
F7	-0.245	-1.344	1.106
F8	-0.245	-1.344	-1.106

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5239	1.0949	2.1816	1.3598	1.3598	2.3428	2.3428
C2	1.5239		2.1816	1.0949	2.3428	2.3428	1.3598	1.3598
H3	1.0949	2.1816		3.0974	2.0112	2.0112	2.6323	2.6323
H4	2.1816	1.0949	3.0974		2.6323	2.6323	2.0112	2.0112
F5	1.3598	2.3428	2.0112	2.6323		2.2113	2.7320	3.5148
F6	1.3598	2.3428	2.0112	2.6323	2.2113		3.5148	2.7320
F7	2.3428	1.3598	2.6323	2.0112	2.7320	3.5148		2.2113
F8	2.3428	1.3598	2.6323	2.0112	3.5148	2.7320	2.2113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.786	C1	C2	F7	108.536
C1	C2	F8	108.536	C2	C1	H3	111.786
C2	C1	F5	108.536	C2	C1	F6	108.536
H3	C1	F5	109.564	H3	C1	F6	109.564
H4	C2	F7	109.564	H4	C2	F8	109.564
F5	C1	F6	108.798	F7	C2	F8	108.798

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

using model chemistry: B3LYP/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	0.399
2	C	0.399
3	H	0.148
4	H	0.148
5	F	-0.274
6	F	-0.274
7	F	-0.274
8	F	-0.274

	x	y	z
x	3.460	-0.019	0.000
y	-0.019	3.483	0.000
z	0.000	0.000	3.589

<r²>	142.968
(<r²>)^1/2	11.957

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

using model chemistry: B3LYP/6-31G*

States and conformations

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