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	hartrees
Energy at 0K	-277.740048
Energy at 298.15K
HF Energy	-277.015580
Nuclear repulsion energy	132.081971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3141	3023
2	A'	3093	2977
3	A'	3049	2935
4	A'	1508	1452
5	A'	1468	1413
6	A'	1413	1360
7	A'	1184	1139
8	A'	1169	1125
9	A'	885	852
10	A'	573	552
11	A'	473	455
12	A"	3138	3021
13	A"	1509	1452
14	A"	1430	1376
15	A"	1186	1142
16	A"	977	940
17	A"	386	371
18	A"	251	241

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.164	0.000
C2	-0.907	1.032	0.000
H3	1.270	0.721	0.000
F4	0.325	-0.645	1.101
F5	0.325	-0.645	-1.101
H6	-1.794	0.389	0.000
H7	-0.919	1.665	0.894
H8	-0.919	1.665	-0.894

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5073	1.0968	1.3669	1.3669	2.1308	2.1451	2.1451
C2	1.5073		2.1991	2.3550	2.3550	1.0954	1.0953	1.0953
H3	1.0968	2.1991		1.9933	1.9933	3.0816	2.5462	2.5462
F4	1.3669	2.3550	1.9933		2.2028	2.6025	2.6329	3.2969
F5	1.3669	2.3550	1.9933	2.2028		2.6025	3.2969	2.6329
H6	2.1308	1.0954	3.0816	2.6025	2.6025		1.7867	1.7867
H7	2.1451	1.0953	2.5462	2.6329	3.2969	1.7867		1.7874
H8	2.1451	1.0953	2.5462	3.2969	2.6329	1.7867	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.881	C1	C2	H7	110.007
C1	C2	H8	110.007	C2	C1	H3	114.310
C2	C1	F4	109.945	C2	C1	F5	109.945
H3	C1	F4	107.505	H3	C1	F5	107.505
F4	C1	F5	107.367	H6	C2	H7	109.287
H6	C2	H8	109.287	H7	C2	H8	109.352

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-311G*

States and conformations

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