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	hartrees
Energy at 0K	-275.834721
Energy at 298.15K
HF Energy	-275.442829
Nuclear repulsion energy	130.659489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3008	20.62
2	A'	3190	2972	41.14
3	A'	3151	2936	1.90
4	A'	1600	1490	4.18
5	A'	1531	1426	36.04
6	A'	1505	1402	34.02
7	A'	1228	1144	36.85
8	A'	1178	1098	81.73
9	A'	906	844	7.03
10	A'	560	522	9.38
11	A'	455	424	18.14
12	A"	3229	3008	8.03
13	A"	1607	1497	0.70
14	A"	1505	1402	48.31
15	A"	1266	1180	85.13
16	A"	1048	977	31.77
17	A"	366	341	0.01
18	A"	260	242	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.330	0.173	0.000
C2	-0.917	1.028	0.000
H3	1.246	0.757	0.000
F4	0.330	-0.647	1.127
F5	0.330	-0.647	-1.127
H6	-1.789	0.375	0.000
H7	-0.936	1.654	0.891
H8	-0.936	1.654	-0.891

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5113	1.0867	1.3934	1.3934	2.1286	2.1423	2.1423
C2	1.5113		2.1798	2.3720	2.3720	1.0898	1.0889	1.0889
H3	1.0867	2.1798		2.0199	2.0199	3.0595	2.5221	2.5221
F4	1.3934	2.3720	2.0199		2.2533	2.6082	2.6367	3.3114
F5	1.3934	2.3720	2.0199	2.2533		2.6082	3.3114	2.6367
H6	2.1286	1.0898	3.0595	2.6082	2.6082		1.7769	1.7769
H7	2.1423	1.0889	2.5221	2.6367	3.3114	1.7769		1.7810
H8	2.1423	1.0889	2.5221	3.3114	2.6367	1.7769	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.757	C1	C2	H7	109.885
C1	C2	H8	109.885	C2	C1	H3	113.062
C2	C1	F4	109.432	C2	C1	F5	109.432
H3	C1	F4	108.432	H3	C1	F5	108.432
F4	C1	F5	107.916	H6	C2	H7	109.282
H6	C2	H8	109.282	H7	C2	H8	109.729

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

using model chemistry: CID/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: CID/3-21G

States and conformations

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