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	hartrees
Energy at 0K	-277.754410
Energy at 298.15K
HF Energy	-277.022658
Nuclear repulsion energy	132.339132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3024	23.09
2	A'	3125	2982	40.80
3	A'	3078	2936	4.11
4	A'	1507	1438	6.36
5	A'	1477	1410	77.83
6	A'	1416	1351	3.02
7	A'	1190	1135	74.38
8	A'	1178	1124	52.78
9	A'	892	851	9.73
10	A'	578	552	7.22
11	A'	476	455	14.21
12	A"	3166	3021	13.57
13	A"	1509	1440	0.04
14	A"	1442	1376	35.38
15	A"	1199	1144	142.25
16	A"	986	941	52.42
17	A"	388	370	0.01
18	A"	251	240	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.163	0.000
C2	-0.908	1.031	0.000
H3	1.264	0.724	0.000
F4	0.325	-0.645	1.098
F5	0.325	-0.645	-1.098
H6	-1.793	0.389	0.000
H7	-0.917	1.662	0.893
H8	-0.917	1.662	-0.893

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5078	1.0939	1.3631	1.3631	2.1299	2.1422	2.1422
C2	1.5078		2.1934	2.3523	2.3523	1.0936	1.0936	1.0936
H3	1.0939	2.1934		1.9902	1.9902	3.0752	2.5369	2.5369
F4	1.3631	2.3523	1.9902		2.1962	2.5997	2.6282	3.2908
F5	1.3631	2.3523	1.9902	2.1962		2.5997	3.2908	2.6282
H6	2.1299	1.0936	3.0752	2.5997	2.5997		1.7850	1.7850
H7	2.1422	1.0936	2.5369	2.6282	3.2908	1.7850		1.7857
H8	2.1422	1.0936	2.5369	3.2908	2.6282	1.7850	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.877	C1	C2	H7	109.848
C1	C2	H8	109.848	C2	C1	H3	113.988
C2	C1	F4	109.940	C2	C1	F5	109.940
H3	C1	F4	107.694	H3	C1	F5	107.694
F4	C1	F5	107.341	H6	C2	H7	109.395
H6	C2	H8	109.395	H7	C2	H8	109.461

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)

using model chemistry: QCISD/6-311G**

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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All results from a given calculation for CH3CHF2 (Ethane, 1,1-difluoro-)

using model chemistry: QCISD/6-311G**

States and conformations

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)