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	hartrees
Energy at 0K	-275.877465
Energy at 298.15K
HF Energy	-275.441819
Nuclear repulsion energy	130.020143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3016	18.21
2	A'	3102	2967	45.99
3	A'	3077	2943	2.22
4	A'	1569	1501	3.77
5	A'	1496	1430	30.04
6	A'	1473	1409	34.50
7	A'	1202	1149	33.40
8	A'	1150	1100	74.97
9	A'	884	846	6.35
10	A'	548	525	8.65
11	A'	445	426	17.00
12	A"	3155	3017	9.00
13	A"	1576	1507	0.59
14	A"	1476	1412	45.34
15	A"	1241	1187	75.69
16	A"	1027	982	27.87
17	A"	357	341	0.02
18	A"	257	246	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.331	0.173	0.000
C2	-0.921	1.031	0.000
H3	1.252	0.764	0.000
F4	0.331	-0.649	1.133
F5	0.331	-0.649	-1.133
H6	-1.798	0.374	0.000
H7	-0.941	1.661	0.896
H8	-0.941	1.661	-0.896

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5186	1.0938	1.3999	1.3999	2.1388	2.1527	2.1527
C2	1.5186		2.1897	2.3828	2.3828	1.0958	1.0949	1.0949
H3	1.0938	2.1897		2.0317	2.0317	3.0747	2.5327	2.5327
F4	1.3999	2.3828	2.0317		2.2658	2.6200	2.6480	3.3272
F5	1.3999	2.3828	2.0317	2.2658		2.6200	3.3272	2.6480
H6	2.1388	1.0958	3.0747	2.6200	2.6200		1.7870	1.7870
H7	2.1527	1.0949	2.5327	2.6480	3.3272	1.7870		1.7912
H8	2.1527	1.0949	2.5327	3.3272	2.6480	1.7870	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.707	C1	C2	H7	109.852
C1	C2	H8	109.852	C2	C1	H3	112.887
C2	C1	F4	109.392	C2	C1	F5	109.392
H3	C1	F4	108.499	H3	C1	F5	108.499
F4	C1	F5	108.052	H6	C2	H7	109.320
H6	C2	H8	109.320	H7	C2	H8	109.768

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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