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	hartrees
Energy at 0K	-473.989124
Energy at 298.15K	-473.993085
HF Energy	-473.989124
Nuclear repulsion energy	263.770136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3154	2988	0.00
2	A_g	1516	1436	0.00
3	A_g	1182	1120	0.00
4	A_g	1125	1065	0.00
5	A_g	611	578	0.00
6	A_g	349	330	0.00
7	A_u	1434	1358	64.16
8	A_u	1247	1181	199.27
9	A_u	190	180	3.64
10	A_u	107	101	2.73
11	B_g	1452	1375	0.00
12	B_g	1201	1138	0.00
13	B_g	482	457	0.00
14	B_u	3170	3003	32.31
15	B_u	1366	1294	25.20
16	B_u	1174	1112	154.27
17	B_u	521	494	15.05
18	B_u	389	369	63.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.251	0.712	0.000
C2	0.251	-0.712	0.000
H3	-1.338	0.741	0.000
H4	1.338	-0.741	0.000
F5	0.251	1.337	1.125
F6	0.251	1.337	-1.125
F7	-0.251	-1.337	1.125
F8	-0.251	-1.337	-1.125

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5095	1.0873	2.1536	1.3818	1.3818	2.3372	2.3372
C2	1.5095		2.1536	1.0873	2.3372	2.3372	1.3818	1.3818
H3	1.0873	2.1536		3.0597	2.0364	2.0364	2.6012	2.6012
H4	2.1536	1.0873	3.0597		2.6012	2.6012	2.0364	2.0364
F5	1.3818	2.3372	2.0364	2.6012		2.2503	2.7206	3.5307
F6	1.3818	2.3372	2.0364	2.6012	2.2503		3.5307	2.7206
F7	2.3372	1.3818	2.6012	2.0364	2.7206	3.5307		2.2503
F8	2.3372	1.3818	2.6012	2.0364	3.5307	2.7206	2.2503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.015	C1	C2	F7	107.789
C1	C2	F8	107.789	C2	C1	H3	111.015
C2	C1	F5	107.789	C2	C1	F6	107.789
H3	C1	F5	110.561	H3	C1	F6	110.561
H4	C2	F7	110.561	H4	C2	F8	110.561
F5	C1	F6	109.028	F7	C2	F8	109.028

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

using model chemistry: M06-2X/3-21G*

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	0.358
2	C	0.358
3	H	0.241
4	H	0.241
5	F	-0.299
6	F	-0.299
7	F	-0.299
8	F	-0.299

	x	y	z
x	2.774	0.039	0.000
y	0.039	2.640	0.000
z	0.000	0.000	3.048

<r²>	144.273
(<r²>)^1/2	12.011

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

using model chemistry: M06-2X/3-21G*

States and conformations

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