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	hartrees
Energy at 0K	-277.786355
Energy at 298.15K
HF Energy	-277.055840
Nuclear repulsion energy	132.397125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3038	19.46
2	A'	3135	2992	34.43
3	A'	3091	2950	3.49
4	A'	1515	1446	5.65
5	A'	1482	1414	70.41
6	A'	1429	1364	3.01
7	A'	1196	1141	61.50
8	A'	1178	1124	71.51
9	A'	892	851	9.81
10	A'	584	557	6.95
11	A'	479	457	14.61
12	A"	3179	3034	11.50
13	A"	1513	1444	0.03
14	A"	1445	1379	33.38
15	A"	1190	1136	147.70
16	A"	985	940	65.64
17	A"	390	372	0.02
18	A"	238	227	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.163	0.000
C2	-0.901	1.039	0.000
H3	1.263	0.715	0.000
F4	0.322	-0.649	1.096
F5	0.322	-0.649	-1.096
H6	-1.793	0.413	0.000
H7	-0.899	1.669	0.889
H8	-0.899	1.669	-0.889

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5043	1.0908	1.3643	1.3643	2.1295	2.1331	2.1331
C2	1.5043		2.1883	2.3554	2.3554	1.0897	1.0897	1.0897
H3	1.0908	2.1883		1.9867	1.9867	3.0708	2.5254	2.5254
F4	1.3643	2.3554	1.9867		2.1919	2.6081	2.6286	3.2875
F5	1.3643	2.3554	1.9867	2.1919		2.6081	3.2875	2.6286
H6	2.1295	1.0897	3.0708	2.6081	2.6081		1.7796	1.7796
H7	2.1331	1.0897	2.5254	2.6286	3.2875	1.7796		1.7782
H8	2.1331	1.0897	2.5254	3.2875	2.6286	1.7796	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.313	C1	C2	H7	109.598
C1	C2	H8	109.598	C2	C1	H3	114.023
C2	C1	F4	110.294	C2	C1	F5	110.294
H3	C1	F4	107.517	H3	C1	F5	107.517
F4	C1	F5	106.897	H6	C2	H7	109.481
H6	C2	H8	109.481	H7	C2	H8	109.356

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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