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	hartrees
Energy at 0K	-476.848186
Energy at 298.15K	-476.852198
HF Energy	-476.848186
Nuclear repulsion energy	267.170851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3096	2969	0.00
2	A_g	1475	1415	0.00
3	A_g	1172	1124	0.00
4	A_g	1123	1078	0.00
5	A_g	635	609	0.00
6	A_g	364	349	0.00
7	A_u	1359	1304	33.23
8	A_u	1175	1127	402.00
9	A_u	205	197	2.11
10	A_u	80	77	2.07
11	B_g	1390	1333	0.00
12	B_g	1140	1093	0.00
13	B_g	488	468	0.00
14	B_u	3109	2982	45.97
15	B_u	1330	1276	24.49
16	B_u	1160	1112	224.72
17	B_u	550	527	9.23
18	B_u	410	393	44.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.721	0.000
C2	0.243	-0.721	0.000
H3	-1.333	0.782	0.000
H4	1.333	-0.782	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		1.5210	1.0920	2.1771	1.3477	1.3477	2.3342	2.3342
C2	1.5210		2.1771	1.0920	2.3342	2.3342	1.3477	1.3477
H3	1.0920	2.1771		3.0905	1.9980	1.9980	2.6252	2.6252
H4	2.1771	1.0920	3.0905		2.6252	2.6252	1.9980	1.9980
F5	1.3477	2.3342	1.9980	2.6252		2.1866	2.7268	3.4952
F6	1.3477	2.3342	1.9980	2.6252	2.1866		3.4952	2.7268
F7	2.3342	1.3477	2.6252	1.9980	2.7268	3.4952		2.1866
F8	2.3342	1.3477	2.6252	1.9980	3.4952	2.7268	2.1866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.806	C1	C2	F7	108.762
C1	C2	F8	108.762	C2	C1	H3	111.806
C2	C1	F5	108.762	C2	C1	F6	108.762
H3	C1	F5	109.509	H3	C1	F6	109.509
H4	C2	F7	109.509	H4	C2	F8	109.509
F5	C1	F6	108.426	F7	C2	F8	108.426

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

using model chemistry: mPW1PW91/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	0.328
2	C	0.328
3	H	0.038
4	H	0.038
5	F	-0.183
6	F	-0.183
7	F	-0.183
8	F	-0.183

	x	y	z
x	3.772	0.021	0.000
y	0.021	3.963	0.000
z	0.000	0.000	4.056

<r²>	142.046
(<r²>)^1/2	11.918

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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