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	hartrees
Energy at 0K	-277.616285
Energy at 298.15K
HF Energy	-276.984448
Nuclear repulsion energy	132.326732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3253	21.86
2	A'	3219	3219	23.13
3	A'	3153	3153	3.15
4	A'	1525	1525	11.28
5	A'	1499	1499	65.29
6	A'	1432	1432	1.33
7	A'	1207	1207	107.18
8	A'	1198	1198	20.54
9	A'	905	905	10.99
10	A'	582	582	6.36
11	A'	479	479	14.59
12	A"	3247	3247	11.10
13	A"	1526	1526	0.19
14	A"	1436	1436	22.27
15	A"	1199	1199	166.58
16	A"	993	993	62.12
17	A"	392	392	0.12
18	A"	243	243	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.166	0.000
C2	-0.901	1.040	0.000
H3	1.267	0.715	0.000
F4	0.322	-0.650	1.095
F5	0.322	-0.650	-1.095
H6	-1.796	0.413	0.000
H7	-0.898	1.672	0.891
H8	-0.898	1.672	-0.891

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5033	1.0925	1.3655	1.3655	2.1322	2.1339	2.1339
C2	1.5033		2.1919	2.3559	2.3559	1.0925	1.0927	1.0927
H3	1.0925	2.1919		1.9884	1.9884	3.0772	2.5295	2.5295
F4	1.3655	2.3559	1.9884		2.1902	2.6104	2.6316	3.2905
F5	1.3655	2.3559	1.9884	2.1902		2.6104	3.2905	2.6316
H6	2.1322	1.0925	3.0772	2.6104	2.6104		1.7848	1.7848
H7	2.1339	1.0927	2.5295	2.6316	3.2905	1.7848		1.7816
H8	2.1339	1.0927	2.5295	3.2905	2.6316	1.7848	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.432	C1	C2	H7	109.555
C1	C2	H8	109.555	C2	C1	H3	114.285
C2	C1	F4	110.323	C2	C1	F5	110.323
H3	C1	F4	107.467	H3	C1	F5	107.467
F4	C1	F5	106.638	H6	C2	H7	109.529
H6	C2	H8	109.529	H7	C2	H8	109.228

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

using model chemistry: CID/daug-cc-pVDZ

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: CID/daug-cc-pVDZ

States and conformations

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