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	hartrees
Energy at 0K	-277.924113
Energy at 298.15K
HF Energy	-277.055098
Nuclear repulsion energy	132.766591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3027	16.72
2	A'	3114	2975	34.78
3	A'	3078	2941	3.12
4	A'	1505	1438	6.25
5	A'	1468	1403	71.34
6	A'	1411	1349	0.49
7	A'	1191	1138	91.30
8	A'	1173	1121	33.50
9	A'	890	851	7.00
10	A'	580	554	5.74
11	A'	476	455	13.08
12	A"	3165	3024	10.48
13	A"	1507	1440	0.06
14	A"	1421	1358	25.00
15	A"	1193	1140	151.79
16	A"	983	939	47.23
17	A"	386	369	0.06
18	A"	239	228	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.162	0.000
C2	-0.902	1.032	0.000
H3	1.260	0.719	0.000
F4	0.323	-0.645	1.093
F5	0.323	-0.645	-1.093
H6	-1.788	0.401	0.000
H7	-0.907	1.662	0.887
H8	-0.907	1.662	-0.887

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5022	1.0895	1.3592	1.3592	2.1248	2.1329	2.1329
C2	1.5022		2.1843	2.3470	2.3470	1.0884	1.0882	1.0882
H3	1.0895	2.1843		1.9830	1.9830	3.0647	2.5245	2.5245
F4	1.3592	2.3470	1.9830		2.1867	2.5974	2.6226	3.2801
F5	1.3592	2.3470	1.9830	2.1867		2.5974	3.2801	2.6226
H6	2.1248	1.0884	3.0647	2.5974	2.5974		1.7763	1.7763
H7	2.1329	1.0882	2.5245	2.6226	3.2801	1.7763		1.7748
H8	2.1329	1.0882	2.5245	3.2801	2.6226	1.7763	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.160	C1	C2	H7	109.819
C1	C2	H8	109.819	C2	C1	H3	113.927
C2	C1	F4	110.117	C2	C1	F5	110.117
H3	C1	F4	107.653	H3	C1	F5	107.653
F4	C1	F5	107.109	H6	C2	H7	109.383
H6	C2	H8	109.383	H7	C2	H8	109.263

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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