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	hartrees
Energy at 0K	-277.710797
Energy at 298.15K
HF Energy	-276.983227
Nuclear repulsion energy	131.360750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3166	18.48
2	A'	3126	3126	24.79
3	A'	3066	3066	3.25
4	A'	1481	1481	7.62
5	A'	1449	1449	64.35
6	A'	1389	1389	1.20
7	A'	1169	1169	94.31
8	A'	1162	1162	23.87
9	A'	877	877	10.24
10	A'	564	564	6.07
11	A'	464	464	13.63
12	A"	3161	3161	10.47
13	A"	1481	1481	0.18
14	A"	1392	1392	20.66
15	A"	1161	1161	155.09
16	A"	961	961	58.91
17	A"	381	381	0.13
18	A"	235	235	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.168	0.000
C2	-0.906	1.045	0.000
H3	1.277	0.720	0.000
F4	0.324	-0.654	1.104
F5	0.324	-0.654	-1.104
H6	-1.807	0.413	0.000
H7	-0.904	1.683	0.897
H8	-0.904	1.683	-0.897

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5113	1.1008	1.3768	1.3768	2.1448	2.1465	2.1465
C2	1.5113		2.2071	2.3711	2.3711	1.1004	1.1007	1.1007
H3	1.1008	2.2071		2.0037	2.0037	3.0986	2.5469	2.5469
F4	1.3768	2.3711	2.0037		2.2089	2.6264	2.6479	3.3130
F5	1.3768	2.3711	2.0037	2.2089		2.6264	3.3130	2.6479
H6	2.1448	1.1004	3.0986	2.6264	2.6264		1.7982	1.7982
H7	2.1465	1.1007	2.5469	2.6479	3.3130	1.7982		1.7948
H8	2.1465	1.1007	2.5469	3.3130	2.6479	1.7982	1.7948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.411	C1	C2	H7	109.529
C1	C2	H8	109.529	C2	C1	H3	114.419
C2	C1	F4	110.282	C2	C1	F5	110.282
H3	C1	F4	107.419	H3	C1	F5	107.419
F4	C1	F5	106.679	H6	C2	H7	109.561
H6	C2	H8	109.561	H7	C2	H8	109.236

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

using model chemistry: CCD/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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