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	hartrees
Energy at 0K	-277.569659
Energy at 298.15K
HF Energy	-276.942654
Nuclear repulsion energy	131.956626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3010	16.10
2	A'	3128	2954	46.85
3	A'	3096	2923	3.64
4	A'	1537	1451	5.02
5	A'	1497	1414	74.83
6	A'	1440	1360	5.44
7	A'	1203	1136	45.99
8	A'	1190	1124	69.23
9	A'	904	854	8.98
10	A'	573	541	7.17
11	A'	470	444	13.77
12	A"	3183	3006	11.58
13	A"	1538	1453	0.07
14	A"	1452	1371	43.60
15	A"	1215	1148	129.43
16	A"	1003	947	46.13
17	A"	385	364	0.04
18	A"	260	246	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.326	0.169	0.000
C2	-0.909	1.026	0.000
H3	1.266	0.732	0.000
F4	0.326	-0.644	1.104
F5	0.326	-0.644	-1.104
H6	-1.788	0.374	0.000
H7	-0.928	1.659	0.893
H8	-0.928	1.659	-0.893

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5037	1.0953	1.3717	1.3717	2.1242	2.1423	2.1423
C2	1.5037		2.1950	2.3532	2.3532	1.0944	1.0944	1.0944
H3	1.0953	2.1950		1.9992	1.9992	3.0749	2.5436	2.5436
F4	1.3717	2.3532	1.9992		2.2089	2.5938	2.6310	3.2966
F5	1.3717	2.3532	1.9992	2.2089		2.5938	3.2966	2.6310
H6	2.1242	1.0944	3.0749	2.5938	2.5938		1.7853	1.7853
H7	2.1423	1.0944	2.5436	2.6310	3.2966	1.7853		1.7860
H8	2.1423	1.0944	2.5436	3.2966	2.6310	1.7853	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.667	C1	C2	H7	110.092
C1	C2	H8	110.092	C2	C1	H3	114.331
C2	C1	F4	109.762	C2	C1	F5	109.762
H3	C1	F4	107.737	H3	C1	F5	107.737
F4	C1	F5	107.252	H6	C2	H7	109.302
H6	C2	H8	109.302	H7	C2	H8	109.366

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

using model chemistry: CCSD/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/6-31G*

States and conformations

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