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	hartrees
Energy at 0K	-277.564509
Energy at 298.15K
HF Energy	-276.942830
Nuclear repulsion energy	132.063660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3025	14.30
2	A'	3133	2966	47.06
3	A'	3103	2937	3.21
4	A'	1539	1456	5.56
5	A'	1501	1420	77.27
6	A'	1443	1366	4.79
7	A'	1208	1143	60.70
8	A'	1195	1131	56.03
9	A'	907	859	8.46
10	A'	575	545	7.14
11	A'	472	447	14.06
12	A"	3193	3022	10.41
13	A"	1541	1458	0.04
14	A"	1457	1379	45.55
15	A"	1224	1159	131.93
16	A"	1008	954	41.62
17	A"	387	366	0.04
18	A"	260	246	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.326	0.168	0.000
C2	-0.908	1.027	0.000
H3	1.266	0.731	0.000
F4	0.326	-0.644	1.103
F5	0.326	-0.644	-1.103
H6	-1.788	0.377	0.000
H7	-0.926	1.659	0.893
H8	-0.926	1.659	-0.893

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5036	1.0953	1.3698	1.3698	2.1242	2.1419	2.1419
C2	1.5036		2.1939	2.3522	2.3522	1.0941	1.0941	1.0941
H3	1.0953	2.1939		1.9976	1.9976	3.0741	2.5421	2.5421
F4	1.3698	2.3522	1.9976		2.2058	2.5937	2.6302	3.2949
F5	1.3698	2.3522	1.9976	2.2058		2.5937	3.2949	2.6302
H6	2.1242	1.0941	3.0741	2.5937	2.5937		1.7847	1.7847
H7	2.1419	1.0941	2.5421	2.6302	3.2949	1.7847		1.7855
H8	2.1419	1.0941	2.5421	3.2949	2.6302	1.7847	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.691	C1	C2	H7	110.089
C1	C2	H8	110.089	C2	C1	H3	114.253
C2	C1	F4	109.801	C2	C1	F5	109.801
H3	C1	F4	107.741	H3	C1	F5	107.741
F4	C1	F5	107.246	H6	C2	H7	109.292
H6	C2	H8	109.292	H7	C2	H8	109.368

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-)