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	hartrees
Energy at 0K	-476.380233
Energy at 298.15K	-476.384191
HF Energy	-476.380233
Nuclear repulsion energy	265.819479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3122	3002	0.00
2	A_g	1461	1405	0.00
3	A_g	1164	1119	0.00
4	A_g	1109	1067	0.00
5	A_g	622	598	0.00
6	A_g	358	344	0.00
7	A_u	1329	1278	24.39
8	A_u	1154	1110	419.09
9	A_u	200	193	1.77
10	A_u	80	77	2.30
11	B_g	1358	1306	0.00
12	B_g	1116	1073	0.00
13	B_g	481	462	0.00
14	B_u	3132	3012	33.68
15	B_u	1301	1251	20.14
16	B_u	1138	1095	220.89
17	B_u	534	514	9.21
18	B_u	407	391	45.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.720	0.000
C2	0.246	-0.720	0.000
H3	-1.343	0.790	0.000
H4	1.343	-0.790	0.000
F5	0.246	1.346	1.100
F6	0.246	1.346	-1.100
F7	-0.246	-1.346	1.100
F8	-0.246	-1.346	-1.100

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5221	1.0993	2.1918	1.3573	1.3573	2.3406	2.3406
C2	1.5221		2.1918	1.0993	2.3406	2.3406	1.3573	1.3573
H3	1.0993	2.1918		3.1158	2.0108	2.0108	2.6407	2.6407
H4	2.1918	1.0993	3.1158		2.6407	2.6407	2.0108	2.0108
F5	1.3573	2.3406	2.0108	2.6407		2.1990	2.7367	3.5107
F6	1.3573	2.3406	2.0108	2.6407	2.1990		3.5107	2.7367
F7	2.3406	1.3573	2.6407	2.0108	2.7367	3.5107		2.1990
F8	2.3406	1.3573	2.6407	2.0108	3.5107	2.7367	2.1990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.463	C1	C2	F7	108.621
C1	C2	F8	108.621	C2	C1	H3	112.463
C2	C1	F5	108.621	C2	C1	F6	108.621
H3	C1	F5	109.419	H3	C1	F6	109.419
H4	C2	F7	109.419	H4	C2	F8	109.419
F5	C1	F6	108.201	F7	C2	F8	108.201

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

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	1.118
2	C	1.118
3	H	-0.247
4	H	-0.247
5	F	-0.436
6	F	-0.436
7	F	-0.436
8	F	-0.436

	x	y	z
x	4.274	0.080	0.000
y	0.080	4.610	0.000
z	0.000	0.000	4.714

<r²>	143.526
(<r²>)^1/2	11.980

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

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