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	hartrees
Energy at 0K	-277.922035
Energy at 298.15K
HF Energy	-277.055194
Nuclear repulsion energy	132.849848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	2985	16.34
2	A'	3116	2933	34.58
3	A'	3081	2900	2.97
4	A'	1506	1418	6.78
5	A'	1471	1384	72.04
6	A'	1413	1330	0.44
7	A'	1196	1126	94.45
8	A'	1174	1105	31.65
9	A'	892	840	6.76
10	A'	582	548	5.76
11	A'	477	449	13.28
12	A"	3168	2982	10.19
13	A"	1508	1419	0.03
14	A"	1425	1341	25.72
15	A"	1198	1128	154.14
16	A"	986	928	44.79
17	A"	387	364	0.06
18	A"	240	225	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.162	0.000
C2	-0.901	1.032	0.000
H3	1.259	0.718	0.000
F4	0.323	-0.645	1.092
F5	0.323	-0.645	-1.092
H6	-1.788	0.401	0.000
H7	-0.906	1.662	0.887
H8	-0.906	1.662	-0.887

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5020	1.0893	1.3578	1.3578	2.1245	2.1326	2.1326
C2	1.5020		2.1832	2.3459	2.3459	1.0882	1.0880	1.0880
H3	1.0893	2.1832		1.9819	1.9819	3.0638	2.5231	2.5231
F4	1.3578	2.3459	1.9819		2.1847	2.5968	2.6215	3.2786
F5	1.3578	2.3459	1.9819	2.1847		2.5968	3.2786	2.6215
H6	2.1245	1.0882	3.0638	2.5968	2.5968		1.7759	1.7759
H7	2.1326	1.0880	2.5231	2.6215	3.2786	1.7759		1.7745
H8	2.1326	1.0880	2.5231	3.2786	2.6215	1.7759	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.164	C1	C2	H7	109.814
C1	C2	H8	109.814	C2	C1	H3	113.863
C2	C1	F4	110.128	C2	C1	F5	110.128
H3	C1	F4	107.669	H3	C1	F5	107.669
F4	C1	F5	107.125	H6	C2	H7	109.384
H6	C2	H8	109.384	H7	C2	H8	109.266

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

using model chemistry: CCSD/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/cc-pVTZ

States and conformations

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