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	hartrees
Energy at 0K	-474.054135
Energy at 298.15K	-474.057987
HF Energy	-474.054135
Nuclear repulsion energy	263.991636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3162	3025	0.00
2	A_g	1496	1431	0.00
3	A_g	1166	1115	0.00
4	A_g	1107	1059	0.00
5	A_g	600	574	0.00
6	A_g	342	327	0.00
7	A_u	1413	1352	54.94
8	A_u	1214	1161	219.96
9	A_u	175	168	3.41
10	A_u	85	82	2.38
11	B_g	1429	1368	0.00
12	B_g	1159	1109	0.00
13	B_g	470	450	0.00
14	B_u	3179	3041	50.51
15	B_u	1357	1298	21.04
16	B_u	1148	1098	153.81
17	B_u	511	489	13.08
18	B_u	378	362	58.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	0.711	0.000
C2	0.250	-0.711	0.000
H3	-1.337	0.739	0.000
H4	1.337	-0.739	0.000
F5	0.250	1.337	1.124
F6	0.250	1.337	-1.124
F7	-0.250	-1.337	1.124
F8	-0.250	-1.337	-1.124

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5066	1.0869	2.1493	1.3806	1.3806	2.3355	2.3355
C2	1.5066		2.1493	1.0869	2.3355	2.3355	1.3806	1.3806
H3	1.0869	2.1493		3.0547	2.0345	2.0345	2.5985	2.5985
H4	2.1493	1.0869	3.0547		2.5985	2.5985	2.0345	2.0345
F5	1.3806	2.3355	2.0345	2.5985		2.2481	2.7198	3.5286
F6	1.3806	2.3355	2.0345	2.5985	2.2481		3.5286	2.7198
F7	2.3355	1.3806	2.5985	2.0345	2.7198	3.5286		2.2481
F8	2.3355	1.3806	2.5985	2.0345	3.5286	2.7198	2.2481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.893	C1	C2	F7	107.901
C1	C2	F8	107.901	C2	C1	H3	110.893
C2	C1	F5	107.901	C2	C1	F6	107.901
H3	C1	F5	110.520	H3	C1	F6	110.520
H4	C2	F7	110.520	H4	C2	F8	110.520
F5	C1	F6	109.017	F7	C2	F8	109.017

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

using model chemistry: B1B95/3-21G

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	0.327
2	C	0.327
3	H	0.247
4	H	0.247
5	F	-0.287
6	F	-0.287
7	F	-0.287
8	F	-0.287

	x	y	z
x	2.848	0.033	0.000
y	0.033	2.761	0.000
z	0.000	0.000	3.119

<r²>	143.854
(<r²>)^1/2	11.994

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

using model chemistry: B1B95/3-21G

States and conformations

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