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	hartrees
Energy at 0K	-278.011383
Energy at 298.15K
HF Energy	-277.069692
Nuclear repulsion energy	132.969518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3173	15.64
2	A'	3123	3123	31.57
3	A'	3084	3084	2.75
4	A'	1508	1508	8.96
5	A'	1476	1476	67.58
6	A'	1419	1419	0.55
7	A'	1196	1196	97.72
8	A'	1177	1177	30.25
9	A'	893	893	7.06
10	A'	583	583	5.63
11	A'	478	478	13.35
12	A"	3170	3170	9.05
13	A"	1508	1508	0.06
14	A"	1425	1425	23.74
15	A"	1195	1195	160.35
16	A"	985	985	47.64
17	A"	388	388	0.09
18	A"	237	237	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.162	0.000
C2	-0.899	1.033	0.000
H3	1.257	0.715	0.000
F4	0.322	-0.645	1.091
F5	0.322	-0.645	-1.091
H6	-1.786	0.406	0.000
H7	-0.901	1.661	0.886
H8	-0.901	1.661	-0.886

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5000	1.0864	1.3574	1.3574	2.1214	2.1279	2.1279
C2	1.5000		2.1799	2.3451	2.3451	1.0861	1.0858	1.0858
H3	1.0864	2.1799		1.9787	1.9787	3.0585	2.5179	2.5179
F4	1.3574	2.3451	1.9787		2.1819	2.5954	2.6191	3.2748
F5	1.3574	2.3451	1.9787	2.1819		2.5954	3.2748	2.6191
H6	2.1214	1.0861	3.0585	2.5954	2.5954		1.7730	1.7730
H7	2.1279	1.0858	2.5179	2.6191	3.2748	1.7730		1.7714
H8	2.1279	1.0858	2.5179	3.2748	2.6191	1.7730	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.191	C1	C2	H7	109.718
C1	C2	H8	109.718	C2	C1	H3	113.932
C2	C1	F4	110.215	C2	C1	F5	110.215
H3	C1	F4	107.613	H3	C1	F5	107.613
F4	C1	F5	106.973	H6	C2	H7	109.443
H6	C2	H8	109.443	H7	C2	H8	109.314

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

using model chemistry: CCSD=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

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