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	hartrees
Energy at 0K	-278.010368
Energy at 298.15K
HF Energy	-277.050501
Nuclear repulsion energy	133.105590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	14.55
2	A'	3125	3125	28.34
3	A'	3090	3090	2.73
4	A'	1513	1513	6.07
5	A'	1474	1474	67.14
6	A'	1418	1418	0.94
7	A'	1198	1198	93.25
8	A'	1179	1179	32.96
9	A'	896	896	7.22
10	A'	583	583	5.46
11	A'	479	479	13.72
12	A"	3178	3178	9.11
13	A"	1515	1515	0.43
14	A"	1426	1426	20.98
15	A"	1192	1192	163.90
16	A"	983	983	51.25
17	A"	388	388	0.13
18	A"	243	243	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.162	0.000
C2	-0.900	1.030	0.000
H3	1.260	0.715	0.000
F4	0.322	-0.644	1.089
F5	0.322	-0.644	-1.089
H6	-1.787	0.401	0.000
H7	-0.904	1.660	0.886
H8	-0.904	1.660	-0.886

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4990	1.0893	1.3549	1.3549	2.1223	2.1289	2.1289
C2	1.4990		2.1829	2.3416	2.3416	1.0874	1.0872	1.0872
H3	1.0893	2.1829		1.9785	1.9785	3.0632	2.5220	2.5220
F4	1.3549	2.3416	1.9785		2.1783	2.5934	2.6176	3.2731
F5	1.3549	2.3416	1.9785	2.1783		2.5934	3.2731	2.6176
H6	2.1223	1.0874	3.0632	2.5934	2.5934		1.7748	1.7748
H7	2.1289	1.0872	2.5220	2.6176	3.2731	1.7748		1.7727
H8	2.1289	1.0872	2.5220	3.2731	2.6176	1.7748	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.247	C1	C2	H7	109.779
C1	C2	H8	109.779	C2	C1	H3	114.063
C2	C1	F4	110.159	C2	C1	F5	110.159
H3	C1	F4	107.590	H3	C1	F5	107.590
F4	C1	F5	106.997	H6	C2	H7	109.399
H6	C2	H8	109.399	H7	C2	H8	109.222

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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=FULL/6-311+G(3df,2p)

States and conformations

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