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	hartrees
Energy at 0K	-277.961058
Energy at 298.15K
HF Energy	-277.069053
Nuclear repulsion energy	132.430737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3156
2	A'	3101	3101
3	A'	3064	3064
4	A'	1489	1489
5	A'	1450	1450
6	A'	1397	1397
7	A'	1173	1173
8	A'	1158	1158
9	A'	878	878
10	A'	571	571
11	A'	468	468
12	A"	3153	3153
13	A"	1490	1490
14	A"	1403	1403
15	A"	1169	1169
16	A"	965	965
17	A"	379	379
18	A"	227	227

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.165	0.000
C2	-0.904	1.035	0.000
H3	1.263	0.718	0.000
F4	0.324	-0.647	1.096
F5	0.324	-0.647	-1.096
H6	-1.790	0.400	0.000
H7	-0.909	1.664	0.889
H8	-0.909	1.664	-0.889

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5042	1.0902	1.3643	1.3643	2.1264	2.1348	2.1348
C2	1.5042		2.1897	2.3529	2.3529	1.0898	1.0895	1.0895
H3	1.0902	2.1897		1.9871	1.9871	3.0693	2.5303	2.5303
F4	1.3643	2.3529	1.9871		2.1924	2.6008	2.6276	3.2867
F5	1.3643	2.3529	1.9871	2.1924		2.6008	3.2867	2.6276
H6	2.1264	1.0898	3.0693	2.6008	2.6008		1.7790	1.7790
H7	2.1348	1.0895	2.5303	2.6276	3.2867	1.7790		1.7781
H8	2.1348	1.0895	2.5303	3.2867	2.6276	1.7790	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.068	C1	C2	H7	109.750
C1	C2	H8	109.750	C2	C1	H3	114.184
C2	C1	F4	110.127	C2	C1	F5	110.127
H3	C1	F4	107.586	H3	C1	F5	107.586
F4	C1	F5	106.937	H6	C2	H7	109.437
H6	C2	H8	109.437	H7	C2	H8	109.384

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

using model chemistry: CCSD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

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