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	hartrees
Energy at 0K	-277.597388
Energy at 298.15K
HF Energy	-276.949905
Nuclear repulsion energy	132.237964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3039	16.02
2	A'	3167	2969	50.76
3	A'	3141	2945	4.09
4	A'	1549	1452	4.51
5	A'	1508	1414	72.42
6	A'	1449	1359	5.97
7	A'	1209	1134	61.43
8	A'	1197	1123	53.63
9	A'	907	851	9.03
10	A'	576	540	7.44
11	A'	473	443	13.69
12	A"	3237	3035	12.53
13	A"	1551	1454	0.02
14	A"	1464	1372	44.46
15	A"	1227	1150	128.00
16	A"	1011	948	42.74
17	A"	387	363	0.01
18	A"	260	243	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.167	0.000
C2	-0.907	1.027	0.000
H3	1.259	0.730	0.000
F4	0.325	-0.644	1.102
F5	0.325	-0.644	-1.102
H6	-1.784	0.383	0.000
H7	-0.922	1.656	0.888
H8	-0.922	1.656	-0.888

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5031	1.0905	1.3685	1.3685	2.1205	2.1354	2.1354
C2	1.5031		2.1865	2.3509	2.3509	1.0879	1.0879	1.0879
H3	1.0905	2.1865		1.9940	1.9940	3.0629	2.5298	2.5298
F4	1.3685	2.3509	1.9940		2.2049	2.5923	2.6249	3.2870
F5	1.3685	2.3509	1.9940	2.2049		2.5923	3.2870	2.6249
H6	2.1205	1.0879	3.0629	2.5923	2.5923		1.7753	1.7753
H7	2.1354	1.0879	2.5298	2.6249	3.2870	1.7753		1.7752
H8	2.1354	1.0879	2.5298	3.2870	2.6249	1.7753	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.797	C1	C2	H7	109.976
C1	C2	H8	109.976	C2	C1	H3	113.983
C2	C1	F4	109.818	C2	C1	F5	109.818
H3	C1	F4	107.827	H3	C1	F5	107.827
F4	C1	F5	107.332	H6	C2	H7	109.359
H6	C2	H8	109.359	H7	C2	H8	109.357

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

using model chemistry: CCD/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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All results from a given calculation for CH3CHF2 (Ethane, 1,1-difluoro-)

using model chemistry: CCD/6-31G**

States and conformations

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