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	hartrees
Energy at 0K	-476.838600
Energy at 298.15K	-476.842618
HF Energy	-476.838600
Nuclear repulsion energy	266.388763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3108	2968	0.00
2	A_g	1476	1410	0.00
3	A_g	1164	1112	0.00
4	A_g	1117	1067	0.00
5	A_g	635	607	0.00
6	A_g	366	349	0.00
7	A_u	1364	1302	32.51
8	A_u	1159	1106	446.48
9	A_u	212	202	2.91
10	A_u	76	73	2.48
11	B_g	1396	1333	0.00
12	B_g	1127	1077	0.00
13	B_g	487	466	0.00
14	B_u	3119	2978	43.60
15	B_u	1336	1276	27.79
16	B_u	1149	1097	249.40
17	B_u	553	528	9.91
18	B_u	421	402	53.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	0.728	0.000
C2	0.239	-0.728	0.000
H3	-1.331	0.790	0.000
H4	1.331	-0.790	0.000
F5	0.239	1.352	1.096
F6	0.239	1.352	-1.096
F7	-0.239	-1.352	1.096
F8	-0.239	-1.352	-1.096

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5332	1.0937	2.1842	1.3493	1.3493	2.3518	2.3518
C2	1.5332		2.1842	1.0937	2.3518	2.3518	1.3493	1.3493
H3	1.0937	2.1842		3.0956	1.9964	1.9964	2.6424	2.6424
H4	2.1842	1.0937	3.0956		2.6424	2.6424	1.9964	1.9964
F5	1.3493	2.3518	1.9964	2.6424		2.1926	2.7469	3.5146
F6	1.3493	2.3518	1.9964	2.6424	2.1926		3.5146	2.7469
F7	2.3518	1.3493	2.6424	1.9964	2.7469	3.5146		2.1926
F8	2.3518	1.3493	2.6424	1.9964	3.5146	2.7469	2.1926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.405	C1	C2	F7	109.190
C1	C2	F8	109.190	C2	C1	H3	111.405
C2	C1	F5	109.190	C2	C1	F6	109.190
H3	C1	F5	109.165	H3	C1	F6	109.165
H4	C2	F7	109.165	H4	C2	F8	109.165
F5	C1	F6	108.681	F7	C2	F8	108.681

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

using model chemistry: wB97X-D/TZVP

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	0.242
2	C	0.242
3	H	0.122
4	H	0.122
5	F	-0.182
6	F	-0.182
7	F	-0.182
8	F	-0.182

	x	y	z
x	3.697	0.068	0.000
y	0.068	3.816	0.000
z	0.000	0.000	4.019

<r²>	143.269
(<r²>)^1/2	11.970

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

using model chemistry: wB97X-D/TZVP

States and conformations

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