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	hartrees
Energy at 0K	-476.784308
Energy at 298.15K	-476.788290
HF Energy	-476.784308
Nuclear repulsion energy	266.460532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3078	2960	0.00
2	A_g	1461	1405	0.00
3	A_g	1158	1114	0.00
4	A_g	1113	1070	0.00
5	A_g	628	604	0.00
6	A_g	361	347	0.00
7	A_u	1349	1297	28.88
8	A_u	1156	1112	404.36
9	A_u	204	196	2.09
10	A_u	80	77	2.03
11	B_g	1380	1327	0.00
12	B_g	1121	1078	0.00
13	B_g	483	464	0.00
14	B_u	3091	2972	46.05
15	B_u	1322	1271	23.60
16	B_u	1144	1101	222.60
17	B_u	544	523	8.88
18	B_u	408	392	44.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.722	0.000
C2	0.243	-0.722	0.000
H3	-1.335	0.784	0.000
H4	1.335	-0.784	0.000
F5	0.243	1.345	1.096
F6	0.243	1.345	-1.096
F7	-0.243	-1.345	1.096
F8	-0.243	-1.345	-1.096

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5241	1.0933	2.1818	1.3517	1.3517	2.3401	2.3401
C2	1.5241		2.1818	1.0933	2.3401	2.3401	1.3517	1.3517
H3	1.0933	2.1818		3.0964	2.0018	2.0018	2.6322	2.6322
H4	2.1818	1.0933	3.0964		2.6322	2.6322	2.0018	2.0018
F5	1.3517	2.3401	2.0018	2.6322		2.1928	2.7341	3.5048
F6	1.3517	2.3401	2.0018	2.6322	2.1928		3.5048	2.7341
F7	2.3401	1.3517	2.6322	2.0018	2.7341	3.5048		2.1928
F8	2.3401	1.3517	2.6322	2.0018	3.5048	2.7341	2.1928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.885	C1	C2	F7	108.774
C1	C2	F8	108.774	C2	C1	H3	111.885
C2	C1	F5	108.774	C2	C1	F6	108.774
H3	C1	F5	109.465	H3	C1	F6	109.465
H4	C2	F7	109.465	H4	C2	F8	109.465
F5	C1	F6	108.408	F7	C2	F8	108.408

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

using model chemistry: B3PW91/cc-pVTZ

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	0.324
2	C	0.324
3	H	0.043
4	H	0.043
5	F	-0.183
6	F	-0.183
7	F	-0.183
8	F	-0.183

	x	y	z
x	3.800	0.024	0.000
y	0.024	4.008	0.000
z	0.000	0.000	4.104

<r²>	142.721
(<r²>)^1/2	11.947

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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