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	hartrees
Energy at 0K	-476.302231
Energy at 298.15K	-476.306208
HF Energy	-476.302231
Nuclear repulsion energy	266.962835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3127	2972	0.00
2	A_g	1504	1429	0.00
3	A_g	1185	1126	0.00
4	A_g	1142	1085	0.00
5	A_g	633	602	0.00
6	A_g	361	343	0.00
7	A_u	1399	1329	72.17
8	A_u	1210	1150	341.93
9	A_u	196	187	1.98
10	A_u	83	79	2.04
11	B_g	1427	1356	0.00
12	B_g	1177	1118	0.00
13	B_g	491	467	0.00
14	B_u	3138	2982	64.41
15	B_u	1340	1274	34.55
16	B_u	1178	1119	212.48
17	B_u	542	515	9.27
18	B_u	413	392	44.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.719	0.000
C2	0.243	-0.719	0.000
H3	-1.337	0.775	0.000
H4	1.337	-0.775	0.000
F5	0.243	1.336	1.099
F6	0.243	1.336	-1.099
F7	-0.243	-1.336	1.099
F8	-0.243	-1.336	-1.099

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5184	1.0952	2.1748	1.3508	1.3508	2.3308	2.3308
C2	1.5184		2.1748	1.0952	2.3308	2.3308	1.3508	1.3508
H3	1.0952	2.1748		3.0909	2.0046	2.0046	2.6198	2.6198
H4	2.1748	1.0952	3.0909		2.6198	2.6198	2.0046	2.0046
F5	1.3508	2.3308	2.0046	2.6198		2.1980	2.7163	3.4942
F6	1.3508	2.3308	2.0046	2.6198	2.1980		3.4942	2.7163
F7	2.3308	1.3508	2.6198	2.0046	2.7163	3.4942		2.1980
F8	2.3308	1.3508	2.6198	2.0046	3.4942	2.7163	2.1980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.610	C1	C2	F7	108.514
C1	C2	F8	108.514	C2	C1	H3	111.610
C2	C1	F5	108.514	C2	C1	F6	108.514
H3	C1	F5	109.628	H3	C1	F6	109.628
H4	C2	F7	109.628	H4	C2	F8	109.628
F5	C1	F6	108.895	F7	C2	F8	108.895

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

using model chemistry: PBE1PBE/6-31G*

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	0.379
2	C	0.379
3	H	0.172
4	H	0.172
5	F	-0.276
6	F	-0.276
7	F	-0.276
8	F	-0.276

	x	y	z
x	3.447	-0.028	0.000
y	-0.028	3.449	0.000
z	0.000	0.000	3.542

<r²>	141.538
(<r²>)^1/2	11.897

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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