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	hartrees
Energy at 0K	-277.950205
Energy at 298.15K
HF Energy	-277.054745
Nuclear repulsion energy	132.501384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3155	3075
2	A'	3093	3015
3	A'	3064	2987
4	A'	1491	1454
5	A'	1450	1414
6	A'	1396	1360
7	A'	1176	1146
8	A'	1161	1132
9	A'	881	859
10	A'	573	559
11	A'	470	458
12	A"	3152	3073
13	A"	1494	1457
14	A"	1406	1371
15	A"	1176	1146
16	A"	970	945
17	A"	381	372
18	A"	233	227

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.164	0.000
C2	-0.904	1.032	0.000
H3	1.262	0.722	0.000
F4	0.324	-0.645	1.097
F5	0.324	-0.645	-1.097
H6	-1.789	0.395	0.000
H7	-0.912	1.662	0.889
H8	-0.912	1.662	-0.889

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5040	1.0912	1.3629	1.3629	2.1253	2.1358	2.1358
C2	1.5040		2.1884	2.3503	2.3503	1.0897	1.0895	1.0895
H3	1.0912	2.1884		1.9877	1.9877	3.0681	2.5299	2.5299
F4	1.3629	2.3503	1.9877		2.1932	2.5976	2.6256	3.2852
F5	1.3629	2.3503	1.9877	2.1932		2.5976	3.2852	2.6256
H6	2.1253	1.0897	3.0681	2.5976	2.5976		1.7786	1.7786
H7	2.1358	1.0895	2.5299	2.6256	3.2852	1.7786		1.7776
H8	2.1358	1.0895	2.5299	3.2852	2.6256	1.7786	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.005	C1	C2	H7	109.844
C1	C2	H8	109.844	C2	C1	H3	114.028
C2	C1	F4	110.031	C2	C1	F5	110.031
H3	C1	F4	107.670	H3	C1	F5	107.670
F4	C1	F5	107.146	H6	C2	H7	109.403
H6	C2	H8	109.403	H7	C2	H8	109.327

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVTZ

States and conformations

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