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	hartrees
Energy at 0K	-476.842905
Energy at 298.15K	-476.846819
HF Energy	-476.842905
Nuclear repulsion energy	264.158771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3108	3016	0.00
2	A_g	1440	1397	0.00
3	A_g	1140	1106	0.00
4	A_g	1090	1058	0.00
5	A_g	609	591	0.00
6	A_g	353	342	0.00
7	A_u	1321	1282	15.77
8	A_u	1106	1074	428.28
9	A_u	203	197	1.92
10	A_u	79	77	2.33
11	B_g	1350	1310	0.00
12	B_g	1071	1039	0.00
13	B_g	472	459	0.00
14	B_u	3118	3025	31.29
15	B_u	1297	1258	19.84
16	B_u	1104	1071	221.87
17	B_u	524	509	8.70
18	B_u	409	397	47.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.248	0.723	0.000
C2	0.248	-0.723	0.000
H3	-1.344	0.797	0.000
H4	1.344	-0.797	0.000
F5	0.248	1.355	1.107
F6	0.248	1.355	-1.107
F7	-0.248	-1.355	1.107
F8	-0.248	-1.355	-1.107

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5287	1.0984	2.2010	1.3675	1.3675	2.3542	2.3542
C2	1.5287		2.2010	1.0984	2.3542	2.3542	1.3675	1.3675
H3	1.0984	2.2010		3.1249	2.0176	2.0176	2.6562	2.6562
H4	2.2010	1.0984	3.1249		2.6562	2.6562	2.0176	2.0176
F5	1.3675	2.3542	2.0176	2.6562		2.2131	2.7550	3.5338
F6	1.3675	2.3542	2.0176	2.6562	2.2131		3.5338	2.7550
F7	2.3542	1.3675	2.6562	2.0176	2.7550	3.5338		2.2131
F8	2.3542	1.3675	2.6562	2.0176	3.5338	2.7550	2.2131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.788	C1	C2	F7	108.627
C1	C2	F8	108.627	C2	C1	H3	112.788
C2	C1	F5	108.627	C2	C1	F6	108.627
H3	C1	F5	109.326	H3	C1	F6	109.326
H4	C2	F7	109.326	H4	C2	F8	109.326
F5	C1	F6	108.032	F7	C2	F8	108.032

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

using model chemistry: B3LYP/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	1.210
2	C	1.210
3	H	-0.381
4	H	-0.381
5	F	-0.415
6	F	-0.415
7	F	-0.415
8	F	-0.415

	x	y	z
x	4.330	0.093	0.000
y	0.093	4.711	0.000
z	0.000	0.000	4.832

<r²>	145.301
(<r²>)^1/2	12.054

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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