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	hartrees
Energy at 0K	-476.804886
Energy at 298.15K	-476.808804
HF Energy	-476.804886
Nuclear repulsion energy	264.410136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3120	3008	0.00
2	A_g	1456	1404	0.00
3	A_g	1144	1103	0.00
4	A_g	1102	1062	0.00
5	A_g	613	591	0.00
6	A_g	354	342	0.00
7	A_u	1346	1298	28.77
8	A_u	1124	1084	446.80
9	A_u	204	197	2.35
10	A_u	80	77	2.54
11	B_g	1376	1326	0.00
12	B_g	1090	1051	0.00
13	B_g	475	458	0.00
14	B_u	3130	3018	32.85
15	B_u	1316	1269	25.94
16	B_u	1117	1077	237.33
17	B_u	528	509	10.01
18	B_u	414	399	52.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.248	0.724	0.000
C2	0.248	-0.724	0.000
H3	-1.339	0.797	0.000
H4	1.339	-0.797	0.000
F5	0.248	1.353	1.106
F6	0.248	1.353	-1.106
F7	-0.248	-1.353	1.106
F8	-0.248	-1.353	-1.106

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5296	1.0937	2.1981	1.3660	1.3660	2.3530	2.3530
C2	1.5296		2.1981	1.0937	2.3530	2.3530	1.3660	1.3660
H3	1.0937	2.1981		3.1170	2.0127	2.0127	2.6532	2.6532
H4	2.1981	1.0937	3.1170		2.6532	2.6532	2.0127	2.0127
F5	1.3660	2.3530	2.0127	2.6532		2.2122	2.7515	3.5306
F6	1.3660	2.3530	2.0127	2.6532	2.2122		3.5306	2.7515
F7	2.3530	1.3660	2.6532	2.0127	2.7515	3.5306		2.2122
F8	2.3530	1.3660	2.6532	2.0127	3.5306	2.7515	2.2122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.786	C1	C2	F7	108.572
C1	C2	F8	108.572	C2	C1	H3	112.786
C2	C1	F5	108.572	C2	C1	F6	108.572
H3	C1	F5	109.327	H3	C1	F6	109.327
H4	C2	F7	109.327	H4	C2	F8	109.327
F5	C1	F6	108.147	F7	C2	F8	108.147

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

using model chemistry: B3LYP/6-31+G**

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	0.448
2	C	0.448
3	H	0.156
4	H	0.156
5	F	-0.302
6	F	-0.302
7	F	-0.302
8	F	-0.302

	x	y	z
x	4.034	0.098	0.000
y	0.098	4.286	0.000
z	0.000	0.000	4.492

<r²>	145.155
(<r²>)^1/2	12.048

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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