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	hartrees
Energy at 0K	-109.264700
Energy at 298.15K	-109.268549
HF Energy	-109.264700
Nuclear repulsion energy	149.024244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3117	3010	0.00
2	A_g	1463	1412	0.00
3	A_g	1135	1096	0.00
4	A_g	1095	1057	0.00
5	A_g	610	589	0.00
6	A_g	351	338	0.00
7	A_u	1352	1306	39.96
8	A_u	1137	1098	429.13
9	A_u	200	193	2.55
10	A_u	72	70	2.76
11	B_g	1379	1332	0.00
12	B_g	1103	1065	0.00
13	B_g	468	452	0.00
14	B_u	3130	3023	68.57
15	B_u	1301	1256	31.95
16	B_u	1118	1079	229.81
17	B_u	528	510	9.34
18	B_u	397	384	50.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.734	0.000
C2	0.249	-0.734	0.000
H3	-1.351	0.807	0.000
H4	1.351	-0.807	0.000
F5	0.249	1.365	1.111
F6	0.249	1.365	-1.111
F7	-0.249	-1.365	1.111
F8	-0.249	-1.365	-1.111

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5510	1.1037	2.2214	1.3712	1.3712	2.3747	2.3747
C2	1.5510		2.2214	1.1037	2.3747	2.3747	1.3712	1.3712
H3	1.1037	2.2214		3.1465	2.0263	2.0263	2.6760	2.6760
H4	2.2214	1.1037	3.1465		2.6760	2.6760	2.0263	2.0263
F5	1.3712	2.3747	2.0263	2.6760		2.2218	2.7743	3.5543
F6	1.3712	2.3747	2.0263	2.6760	2.2218		3.5543	2.7743
F7	2.3747	1.3712	2.6760	2.0263	2.7743	3.5543		2.2218
F8	2.3747	1.3712	2.6760	2.0263	3.5543	2.7743	2.2218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.516	C1	C2	F7	108.557
C1	C2	F8	108.557	C2	C1	H3	112.516
C2	C1	F5	108.557	C2	C1	F6	108.557
H3	C1	F5	109.444	H3	C1	F6	109.444
H4	C2	F7	109.444	H4	C2	F8	109.444
F5	C1	F6	108.226	F7	C2	F8	108.226

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

using model chemistry: B3LYP/CEP-31G*

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	0.096
2	C	0.096
3	H	0.194
4	H	0.194
5	F	-0.145
6	F	-0.145
7	F	-0.145
8	F	-0.145

	x	y	z
x	3.327	0.044	0.000
y	0.044	3.676	0.000
z	0.000	0.000	3.796

<r²>	118.812
(<r²>)^1/2	10.900

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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