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	hartrees
Energy at 0K	-476.847930
Energy at 298.15K	-476.851922
HF Energy	-476.847930
Nuclear repulsion energy	267.120632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3116	2982	0.00
2	A_g	1475	1412	0.00
3	A_g	1168	1118	0.00
4	A_g	1118	1070	0.00
5	A_g	634	607	0.00
6	A_g	361	345	0.00
7	A_u	1371	1312	34.46
8	A_u	1169	1119	438.34
9	A_u	202	193	2.82
10	A_u	78	75	2.58
11	B_g	1402	1341	0.00
12	B_g	1134	1085	0.00
13	B_g	486	465	0.00
14	B_u	3128	2993	40.93
15	B_u	1332	1274	27.34
16	B_u	1154	1105	244.55
17	B_u	550	526	10.32
18	B_u	410	393	52.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.721	0.000
C2	0.243	-0.721	0.000
H3	-1.332	0.785	0.000
H4	1.332	-0.785	0.000
F5	0.243	1.342	1.093
F6	0.243	1.342	-1.093
F7	-0.243	-1.342	1.093
F8	-0.243	-1.342	-1.093

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5227	1.0902	2.1793	1.3479	1.3479	2.3351	2.3351
C2	1.5227		2.1793	1.0902	2.3351	2.3351	1.3479	1.3479
H3	1.0902	2.1793		3.0915	1.9964	1.9964	2.6274	2.6274
H4	2.1793	1.0902	3.0915		2.6274	2.6274	1.9964	1.9964
F5	1.3479	2.3351	1.9964	2.6274		2.1867	2.7273	3.4957
F6	1.3479	2.3351	1.9964	2.6274	2.1867		3.4957	2.7273
F7	2.3351	1.3479	2.6274	1.9964	2.7273	3.4957		2.1867
F8	2.3351	1.3479	2.6274	1.9964	3.4957	2.7273	2.1867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.969	C1	C2	F7	108.711
C1	C2	F8	108.711	C2	C1	H3	111.969
C2	C1	F5	108.711	C2	C1	F6	108.711
H3	C1	F5	109.481	H3	C1	F6	109.481
H4	C2	F7	109.481	H4	C2	F8	109.481
F5	C1	F6	108.416	F7	C2	F8	108.416

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

using model chemistry: B1B95/TZVP

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	0.232
2	C	0.232
3	H	0.121
4	H	0.121
5	F	-0.177
6	F	-0.177
7	F	-0.177
8	F	-0.177

	x	y	z
x	3.680	0.061	0.000
y	0.061	3.813	0.000
z	0.000	0.000	4.015

<r²>	142.489
(<r²>)^1/2	11.937

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

using model chemistry: B1B95/TZVP

States and conformations

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