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	hartrees
Energy at 0K	-476.333929
Energy at 298.15K	-476.337898
HF Energy	-476.333929
Nuclear repulsion energy	266.728784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3103	2983	0.00
2	A_g	1474	1418	0.00
3	A_g	1173	1128	0.00
4	A_g	1122	1078	0.00
5	A_g	632	607	0.00
6	A_g	362	348	0.00
7	A_u	1349	1297	70.19
8	A_u	1188	1143	377.83
9	A_u	197	189	2.38
10	A_u	75	72	2.12
11	B_g	1376	1323	0.00
12	B_g	1154	1109	0.00
13	B_g	486	467	0.00
14	B_u	3114	2994	55.78
15	B_u	1306	1255	32.78
16	B_u	1162	1117	233.99
17	B_u	547	526	9.38
18	B_u	402	386	45.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.719	0.000
C2	0.243	-0.719	0.000
H3	-1.344	0.776	0.000
H4	1.344	-0.776	0.000
F5	0.243	1.341	1.097
F6	0.243	1.341	-1.097
F7	-0.243	-1.341	1.097
F8	-0.243	-1.341	-1.097

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5181	1.1025	2.1804	1.3514	1.3514	2.3336	2.3336
C2	1.5181		2.1804	1.1025	2.3336	2.3336	1.3514	1.3514
H3	1.1025	2.1804		3.1041	2.0107	2.0107	2.6257	2.6257
H4	2.1804	1.1025	3.1041		2.6257	2.6257	2.0107	2.0107
F5	1.3514	2.3336	2.0107	2.6257		2.1934	2.7254	3.4984
F6	1.3514	2.3336	2.0107	2.6257	2.1934		3.4984	2.7254
F7	2.3336	1.3514	2.6257	2.0107	2.7254	3.4984		2.1934
F8	2.3336	1.3514	2.6257	2.0107	3.4984	2.7254	2.1934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.637	C1	C2	F7	108.690
C1	C2	F8	108.690	C2	C1	H3	111.637
C2	C1	F5	108.690	C2	C1	F6	108.690
H3	C1	F5	109.633	H3	C1	F6	109.633
H4	C2	F7	109.633	H4	C2	F8	109.633
F5	C1	F6	108.493	F7	C2	F8	108.493

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

using model chemistry: PBE1PBE/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	0.345
2	C	0.345
3	H	0.048
4	H	0.048
5	F	-0.197
6	F	-0.197
7	F	-0.197
8	F	-0.197

	x	y	z
x	3.384	-0.033	0.000
y	-0.033	3.348	0.000
z	0.000	0.000	3.468

<r²>	142.087
(<r²>)^1/2	11.920

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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