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	hartrees
Energy at 0K	-277.597903
Energy at 298.15K
HF Energy	-276.942392
Nuclear repulsion energy	131.837977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3172	3079
2	A'	3104	3013
3	A'	3080	2989
4	A'	1529	1484
5	A'	1485	1442
6	A'	1430	1388
7	A'	1194	1159
8	A'	1179	1145
9	A'	897	871
10	A'	567	551
11	A'	465	452
12	A"	3168	3075
13	A"	1531	1486
14	A"	1442	1399
15	A"	1202	1167
16	A"	994	965
17	A"	382	371
18	A"	258	250

Atom	x (Å)	y (Å)	z (Å)
C1	0.327	0.170	0.000
C2	-0.910	1.025	0.000
H3	1.268	0.734	0.000
F4	0.327	-0.644	1.106
F5	0.327	-0.644	-1.106
H6	-1.788	0.371	0.000
H7	-0.929	1.658	0.894
H8	-0.929	1.658	-0.894

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5036	1.0970	1.3735	1.3735	2.1245	2.1430	2.1430
C2	1.5036		2.1969	2.3538	2.3538	1.0955	1.0955	1.0955
H3	1.0970	2.1969		2.0020	2.0020	3.0774	2.5458	2.5458
F4	1.3735	2.3538	2.0020		2.2127	2.5937	2.6314	3.2985
F5	1.3735	2.3538	2.0020	2.2127		2.5937	3.2985	2.6314
H6	2.1245	1.0955	3.0774	2.5937	2.5937		1.7872	1.7872
H7	2.1430	1.0955	2.5458	2.6314	3.2985	1.7872		1.7878
H8	2.1430	1.0955	2.5458	3.2985	2.6314	1.7872	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.633	C1	C2	H7	110.089
C1	C2	H8	110.089	C2	C1	H3	114.386
C2	C1	F4	109.707	C2	C1	F5	109.707
H3	C1	F4	107.735	H3	C1	F5	107.735
F4	C1	F5	107.315	H6	C2	H7	109.317
H6	C2	H8	109.317	H7	C2	H8	109.375

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G*

States and conformations

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