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	hartrees
Energy at 0K	-476.588633
Energy at 298.15K	-476.592584
HF Energy	-476.588633
Nuclear repulsion energy	266.161490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3113	2978	0.00
2	A_g	1491	1427	0.00
3	A_g	1172	1121	0.00
4	A_g	1131	1082	0.00
5	A_g	626	599	0.00
6	A_g	358	342	0.00
7	A_u	1392	1332	61.78
8	A_u	1189	1137	350.30
9	A_u	197	188	2.00
10	A_u	83	79	1.99
11	B_g	1420	1359	0.00
12	B_g	1156	1106	0.00
13	B_g	486	465	0.00
14	B_u	3125	2989	67.22
15	B_u	1337	1279	33.39
16	B_u	1161	1111	211.91
17	B_u	537	514	8.86
18	B_u	412	394	44.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.721	0.000
C2	0.244	-0.721	0.000
H3	-1.337	0.779	0.000
H4	1.337	-0.779	0.000
F5	0.244	1.341	1.102
F6	0.244	1.341	-1.102
F7	-0.244	-1.341	1.102
F8	-0.244	-1.341	-1.102

	C1	C2	H3	H4	F5	F6	F7	F8
C1		1.5224	1.0952	2.1796	1.3551	1.3551	2.3382	2.3382
C2	1.5224		2.1796	1.0952	2.3382	2.3382	1.3551	1.3551
H3	1.0952	2.1796		3.0956	2.0073	2.0073	2.6281	2.6281
H4	2.1796	1.0952	3.0956		2.6281	2.6281	2.0073	2.0073
F5	1.3551	2.3382	2.0073	2.6281		2.2044	2.7257	3.5056
F6	1.3551	2.3382	2.0073	2.6281	2.2044		3.5056	2.7257
F7	2.3382	1.3551	2.6281	2.0073	2.7257	3.5056		2.2044
F8	2.3382	1.3551	2.6281	2.0073	3.5056	2.7257	2.2044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.713	C1	C2	F7	108.557
C1	C2	F8	108.557	C2	C1	H3	111.713
C2	C1	F5	108.557	C2	C1	F6	108.557
H3	C1	F5	109.553	H3	C1	F6	109.553
H4	C2	F7	109.553	H4	C2	F8	109.553
F5	C1	F6	108.854	F7	C2	F8	108.854

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

using model chemistry: B3PW91/6-31G*

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	0.378
2	C	0.378
3	H	0.170
4	H	0.170
5	F	-0.274
6	F	-0.274
7	F	-0.274
8	F	-0.274

	x	y	z
x	3.460	-0.025	0.000
y	-0.025	3.480	0.000
z	0.000	0.000	3.577

<r²>	142.295
(<r²>)^1/2	11.929

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

using model chemistry: B3PW91/6-31G*

States and conformations

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