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	hartrees
Energy at 0K	-476.374167
Energy at 298.15K	-476.378133
HF Energy	-476.374167
Nuclear repulsion energy	266.613574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3102	2984	0.00
2	A_g	1473	1416	0.00
3	A_g	1171	1126	0.00
4	A_g	1120	1077	0.00
5	A_g	630	606	0.00
6	A_g	362	348	0.00
7	A_u	1348	1297	67.16
8	A_u	1183	1138	380.63
9	A_u	198	190	2.43
10	A_u	76	73	2.08
11	B_g	1375	1323	0.00
12	B_g	1148	1105	0.00
13	B_g	485	467	0.00
14	B_u	3113	2994	56.58
15	B_u	1305	1255	32.50
16	B_u	1158	1114	233.92
17	B_u	546	525	9.28
18	B_u	402	386	45.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.719	0.000
C2	0.244	-0.719	0.000
H3	-1.344	0.775	0.000
H4	1.344	-0.775	0.000
F5	0.244	1.341	1.097
F6	0.244	1.341	-1.097
F7	-0.244	-1.341	1.097
F8	-0.244	-1.341	-1.097

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5177	1.1024	2.1803	1.3523	1.3523	2.3340	2.3340
C2	1.5177		2.1803	1.1024	2.3340	2.3340	1.3523	1.3523
H3	1.1024	2.1803		3.1039	2.0115	2.0115	2.6260	2.6260
H4	2.1803	1.1024	3.1039		2.6260	2.6260	2.0115	2.0115
F5	1.3523	2.3340	2.0115	2.6260		2.1947	2.7263	3.4999
F6	1.3523	2.3340	2.0115	2.6260	2.1947		3.4999	2.7263
F7	2.3340	1.3523	2.6260	2.0115	2.7263	3.4999		2.1947
F8	2.3340	1.3523	2.6260	2.0115	3.4999	2.7263	2.1947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.656	C1	C2	F7	108.686
C1	C2	F8	108.686	C2	C1	H3	111.656
C2	C1	F5	108.686	C2	C1	F6	108.686
H3	C1	F5	109.636	H3	C1	F6	109.636
H4	C2	F7	109.636	H4	C2	F8	109.636
F5	C1	F6	108.476	F7	C2	F8	108.476

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

using model chemistry: HSEh1PBE/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	0.343
2	C	0.343
3	H	0.048
4	H	0.048
5	F	-0.196
6	F	-0.196
7	F	-0.196
8	F	-0.196

	x	y	z
x	3.391	-0.033	0.000
y	-0.033	3.354	0.000
z	0.000	0.000	3.476

<r²>	142.181
(<r²>)^1/2	11.924

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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