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	hartrees
Energy at 0K	-109.278252
Energy at 298.15K	-109.282132
HF Energy	-109.278252
Nuclear repulsion energy	149.223823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3102	3007	0.00
2	A_g	1465	1420	0.00
3	A_g	1137	1102	0.00
4	A_g	1096	1062	0.00
5	A_g	609	590	0.00
6	A_g	350	339	0.00
7	A_u	1357	1316	36.67
8	A_u	1130	1095	427.44
9	A_u	201	195	2.60
10	A_u	74	72	2.55
11	B_g	1386	1344	0.00
12	B_g	1097	1063	0.00
13	B_g	469	455	0.00
14	B_u	3112	3017	57.79
15	B_u	1313	1273	29.90
16	B_u	1114	1080	236.38
17	B_u	525	509	9.02
18	B_u	406	393	51.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	0.730	0.000
C2	0.249	-0.730	0.000
H3	-1.344	0.803	0.000
H4	1.344	-0.803	0.000
F5	0.249	1.363	1.110
F6	0.249	1.363	-1.110
F7	-0.249	-1.363	1.110
F8	-0.249	-1.363	-1.110

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5436	1.0967	2.2112	1.3715	1.3715	2.3692	2.3692
C2	1.5436		2.2112	1.0967	2.3692	2.3692	1.3715	1.3715
H3	1.0967	2.2112		3.1307	2.0206	2.0206	2.6685	2.6685
H4	2.2112	1.0967	3.1307		2.6685	2.6685	2.0206	2.0206
F5	1.3715	2.3692	2.0206	2.6685		2.2207	2.7703	3.5505
F6	1.3715	2.3692	2.0206	2.6685	2.2207		3.5505	2.7703
F7	2.3692	1.3715	2.6685	2.0206	2.7703	3.5505		2.2207
F8	2.3692	1.3715	2.6685	2.0206	3.5505	2.7703	2.2207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.650	C1	C2	F7	108.587
C1	C2	F8	108.587	C2	C1	H3	112.650
C2	C1	F5	108.587	C2	C1	F6	108.587
H3	C1	F5	109.399	H3	C1	F6	109.399
H4	C2	F7	109.399	H4	C2	F8	109.399
F5	C1	F6	108.113	F7	C2	F8	108.113

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

using model chemistry: B3LYP/CEP-121G*

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	0.294
2	C	0.294
3	H	0.153
4	H	0.153
5	F	-0.224
6	F	-0.224
7	F	-0.224
8	F	-0.224

	x	y	z
x	3.751	0.033	0.000
y	0.033	3.868	0.000
z	0.000	0.000	4.001

<r²>	118.602
(<r²>)^1/2	10.890

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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