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	hartrees
Energy at 0K	-277.919265
Energy at 298.15K
HF Energy	-277.050162
Nuclear repulsion energy	132.758070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3020	15.31
2	A'	3113	2969	28.16
3	A'	3075	2932	2.99
4	A'	1509	1439	5.40
5	A'	1467	1399	64.60
6	A'	1412	1347	1.50
7	A'	1187	1132	83.12
8	A'	1172	1117	42.70
9	A'	889	848	7.47
10	A'	578	552	5.49
11	A'	474	452	13.44
12	A"	3163	3016	9.67
13	A"	1511	1441	0.49
14	A"	1417	1351	20.29
15	A"	1181	1126	159.28
16	A"	976	931	56.67
17	A"	385	368	0.12
18	A"	239	228	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.163	0.000
C2	-0.903	1.033	0.000
H3	1.264	0.716	0.000
F4	0.323	-0.646	1.092
F5	0.323	-0.646	-1.092
H6	-1.790	0.401	0.000
H7	-0.907	1.663	0.888
H8	-0.907	1.663	-0.888

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5032	1.0908	1.3590	1.3590	2.1270	2.1333	2.1333
C2	1.5032		2.1897	2.3480	2.3480	1.0892	1.0890	1.0890
H3	1.0908	2.1897		1.9828	1.9828	3.0702	2.5291	2.5291
F4	1.3590	2.3480	1.9828		2.1838	2.5991	2.6239	3.2808
F5	1.3590	2.3480	1.9828	2.1838		2.5991	3.2808	2.6239
H6	2.1270	1.0892	3.0702	2.5991	2.5991		1.7781	1.7781
H7	2.1333	1.0890	2.5291	2.6239	3.2808	1.7781		1.7761
H8	2.1333	1.0890	2.5291	3.2808	2.6239	1.7781	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.226	C1	C2	H7	109.733
C1	C2	H8	109.733	C2	C1	H3	114.217
C2	C1	F4	110.137	C2	C1	F5	110.137
H3	C1	F4	107.564	H3	C1	F5	107.564
F4	C1	F5	106.925	H6	C2	H7	109.437
H6	C2	H8	109.437	H7	C2	H8	109.262

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

using model chemistry: QCISD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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