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	hartrees
Energy at 0K
Energy at 298.15K	-0.186501
HF Energy	-0.186501
Nuclear repulsion energy	111.252147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2790	2964	48.77
2	A'	2688	2855	129.99
3	A'	2650	2815	7.80
4	A'	1332	1416	86.03
5	A'	1310	1392	133.21
6	A'	1234	1311	56.52
7	A'	1176	1250	6.33
8	A'	1130	1201	59.87
9	A'	960	1020	16.93
10	A'	553	587	2.96
11	A'	449	477	10.78
12	A"	2692	2860	101.11
13	A"	1277	1356	188.67
14	A"	1236	1313	59.55
15	A"	1144	1216	20.18
16	A"	968	1028	4.87
17	A"	362	385	0.08
18	A"	128	136	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.332	0.194	0.000
C2	-0.917	1.049	0.000
H3	1.295	0.752	0.000
F4	0.332	-0.670	1.052
F5	0.332	-0.670	-1.052
H6	-1.843	0.452	0.000
H7	-0.961	1.699	0.886
H8	-0.961	1.699	-0.886

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5139	1.1132	1.3612	1.3612	2.1904	2.1729	2.1729
C2	1.5139		2.2319	2.3711	2.3711	1.1016	1.0993	1.0993
H3	1.1132	2.2319		2.0141	2.0141	3.1524	2.6020	2.6020
F4	1.3612	2.3711	2.0141		2.1045	2.6641	2.7037	3.3223
F5	1.3612	2.3711	2.0141	2.1045		2.6641	3.3223	2.7037
H6	2.1904	1.1016	3.1524	2.6641	2.6641		1.7652	1.7652
H7	2.1729	1.0993	2.6020	2.7037	3.3223	1.7652		1.7715
H8	2.1729	1.0993	2.6020	3.3223	2.7037	1.7652	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	112.798	C1	C2	H7	111.524
C1	C2	H8	111.524	C2	C1	H3	115.491
C2	C1	F4	111.006	C2	C1	F5	111.006
H3	C1	F4	108.554	H3	C1	F5	108.554
F4	C1	F5	101.250	H6	C2	H7	106.647
H6	C2	H8	106.647	H7	C2	H8	107.361

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

using model chemistry: PM6

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: PM6

States and conformations

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