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	hartrees
Energy at 0K	-476.723765
Energy at 298.15K	-476.727535
HF Energy	-476.723765
Nuclear repulsion energy	261.995119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2976	2981	0.00
2	A_g	1386	1388	0.00
3	A_g	1091	1093	0.00
4	A_g	1057	1059	0.00
5	A_g	589	590	0.00
6	A_g	342	342	0.00
7	A_u	1287	1290	39.37
8	A_u	1074	1076	369.42
9	A_u	192	192	2.29
10	A_u	70	70	1.59
11	B_g	1315	1317	0.00
12	B_g	1040	1041	0.00
13	B_g	454	455	0.00
14	B_u	2986	2991	68.67
15	B_u	1256	1258	27.38
16	B_u	1070	1072	207.20
17	B_u	512	513	6.58
18	B_u	390	390	41.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.248	0.728	0.000
C2	0.248	-0.728	0.000
H3	-1.358	0.789	0.000
H4	1.358	-0.789	0.000
F5	0.248	1.365	1.118
F6	0.248	1.365	-1.118
F7	-0.248	-1.365	1.118
F8	-0.248	-1.365	-1.118

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5386	1.1114	2.2094	1.3787	1.3787	2.3728	2.3728
C2	1.5386		2.2094	1.1114	2.3728	2.3728	1.3787	1.3787
H3	1.1114	2.2094		3.1410	2.0393	2.0393	2.6686	2.6686
H4	2.2094	1.1114	3.1410		2.6686	2.6686	2.0393	2.0393
F5	1.3787	2.3728	2.0393	2.6686		2.2362	2.7739	3.5630
F6	1.3787	2.3728	2.0393	2.6686	2.2362		3.5630	2.7739
F7	2.3728	1.3787	2.6686	2.0393	2.7739	3.5630		2.2362
F8	2.3728	1.3787	2.6686	2.0393	3.5630	2.7739	2.2362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.954	C1	C2	F7	108.723
C1	C2	F8	108.723	C2	C1	H3	111.954
C2	C1	F5	108.723	C2	C1	F6	108.723
H3	C1	F5	109.494	H3	C1	F6	109.494
H4	C2	F7	109.494	H4	C2	F8	109.494
F5	C1	F6	108.380	F7	C2	F8	108.380

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

using model chemistry: BLYP/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	0.323
2	C	0.323
3	H	0.015
4	H	0.015
5	F	-0.169
6	F	-0.169
7	F	-0.169
8	F	-0.169

	x	y	z
x	3.596	-0.040	0.000
y	-0.040	3.624	0.000
z	0.000	0.000	3.741

<r²>	146.537
(<r²>)^1/2	12.105

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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