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	hartrees
Energy at 0K	-476.495788
Energy at 298.15K	-476.499799
HF Energy	-476.495788
Nuclear repulsion energy	267.244115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3086	2966	0.00
2	A_g	1473	1416	0.00
3	A_g	1172	1127	0.00
4	A_g	1124	1080	0.00
5	A_g	636	611	0.00
6	A_g	364	350	0.00
7	A_u	1355	1302	35.97
8	A_u	1180	1134	396.28
9	A_u	204	196	2.07
10	A_u	80	77	2.05
11	B_g	1386	1332	0.00
12	B_g	1144	1099	0.00
13	B_g	488	469	0.00
14	B_u	3099	2978	46.87
15	B_u	1325	1273	24.03
16	B_u	1162	1117	222.26
17	B_u	550	528	9.17
18	B_u	409	393	44.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.721	0.000
C2	0.243	-0.721	0.000
H3	-1.335	0.780	0.000
H4	1.335	-0.780	0.000
F5	0.243	1.341	1.093
F6	0.243	1.341	-1.093
F7	-0.243	-1.341	1.093
F8	-0.243	-1.341	-1.093

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5206	1.0939	2.1774	1.3473	1.3473	2.3332	2.3332
C2	1.5206		2.1774	1.0939	2.3332	2.3332	1.3473	1.3473
H3	1.0939	2.1774		3.0925	1.9994	1.9994	2.6243	2.6243
H4	2.1774	1.0939	3.0925		2.6243	2.6243	1.9994	1.9994
F5	1.3473	2.3332	1.9994	2.6243		2.1862	2.7252	3.4937
F6	1.3473	2.3332	1.9994	2.6243	2.1862		3.4937	2.7252
F7	2.3332	1.3473	2.6243	1.9994	2.7252	3.4937		2.1862
F8	2.3332	1.3473	2.6243	1.9994	3.4937	2.7252	2.1862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.748	C1	C2	F7	108.745
C1	C2	F8	108.745	C2	C1	H3	111.748
C2	C1	F5	108.745	C2	C1	F6	108.745
H3	C1	F5	109.543	H3	C1	F6	109.543
H4	C2	F7	109.543	H4	C2	F8	109.543
F5	C1	F6	108.451	F7	C2	F8	108.451

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

using model chemistry: PBE1PBE/cc-pVTZ

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	0.308
2	C	0.308
3	H	0.047
4	H	0.047
5	F	-0.178
6	F	-0.178
7	F	-0.178
8	F	-0.178

	x	y	z
x	3.800	0.015	0.000
y	0.015	3.972	0.000
z	0.000	0.000	4.061

<r²>	141.980
(<r²>)^1/2	11.916

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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