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	hartrees
Energy at 0K	-277.490017
Energy at 298.15K
HF Energy	-276.943797
Nuclear repulsion energy	132.802739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3024	18.11
2	A'	3226	2980	45.05
3	A'	3179	2937	3.24
4	A'	1576	1456	6.83
5	A'	1542	1424	78.92
6	A'	1481	1368	5.65
7	A'	1238	1144	76.01
8	A'	1223	1129	50.96
9	A'	928	857	9.29
10	A'	590	545	7.54
11	A'	484	447	14.82
12	A"	3270	3020	11.28
13	A"	1578	1458	0.00
14	A"	1495	1381	46.80
15	A"	1254	1158	143.89
16	A"	1034	955	45.48
17	A"	395	365	0.03
18	A"	263	243	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.166	0.000
C2	-0.905	1.023	0.000
H3	1.258	0.725	0.000
F4	0.325	-0.641	1.095
F5	0.325	-0.641	-1.095
H6	-1.781	0.380	0.000
H7	-0.922	1.652	0.887
H8	-0.922	1.652	-0.887

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4987	1.0874	1.3610	1.3610	2.1170	2.1328	2.1328
C2	1.4987		2.1826	2.3416	2.3416	1.0877	1.0875	1.0875
H3	1.0874	2.1826		1.9844	1.9844	3.0585	2.5288	2.5288
F4	1.3610	2.3416	1.9844		2.1908	2.5843	2.6188	3.2779
F5	1.3610	2.3416	1.9844	2.1908		2.5843	3.2779	2.6188
H6	2.1170	1.0877	3.0585	2.5843	2.5843		1.7736	1.7736
H7	2.1328	1.0875	2.5288	2.6188	3.2779	1.7736		1.7742
H8	2.1328	1.0875	2.5288	3.2779	2.6188	1.7736	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.833	C1	C2	H7	110.092
C1	C2	H8	110.092	C2	C1	H3	114.181
C2	C1	F4	109.841	C2	C1	F5	109.841
H3	C1	F4	107.763	H3	C1	F5	107.763
F4	C1	F5	107.194	H6	C2	H7	109.248
H6	C2	H8	109.248	H7	C2	H8	109.310

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

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

States and conformations

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