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	hartrees
Energy at 0K	-277.752539
Energy at 298.15K
HF Energy	-277.022761
Nuclear repulsion energy	132.421790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3172	22.78
2	A'	3128	3128	40.19
3	A'	3080	3080	3.93
4	A'	1508	1508	7.07
5	A'	1480	1480	78.57
6	A'	1417	1417	2.67
7	A'	1194	1194	83.86
8	A'	1180	1180	44.71
9	A'	894	894	9.47
10	A'	580	580	7.23
11	A'	478	478	14.44
12	A"	3169	3169	13.25
13	A"	1510	1510	0.08
14	A"	1445	1445	35.89
15	A"	1204	1204	144.50
16	A"	989	989	50.00
17	A"	389	389	0.01
18	A"	251	251	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.162	0.000
C2	-0.907	1.031	0.000
H3	1.264	0.724	0.000
F4	0.325	-0.644	1.097
F5	0.325	-0.644	-1.097
H6	-1.792	0.389	0.000
H7	-0.916	1.662	0.893
H8	-0.916	1.662	-0.893

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5076	1.0936	1.3617	1.3617	2.1296	2.1418	2.1418
C2	1.5076		2.1924	2.3512	2.3512	1.0934	1.0934	1.0934
H3	1.0936	2.1924		1.9890	1.9890	3.0744	2.5356	2.5356
F4	1.3617	2.3512	1.9890		2.1941	2.5991	2.6273	3.2893
F5	1.3617	2.3512	1.9890	2.1941		2.5991	3.2893	2.6273
H6	2.1296	1.0934	3.0744	2.5991	2.5991		1.7847	1.7847
H7	2.1418	1.0934	2.5356	2.6273	3.2893	1.7847		1.7854
H8	2.1418	1.0934	2.5356	3.2893	2.6273	1.7847	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.883	C1	C2	H7	109.841
C1	C2	H8	109.841	C2	C1	H3	113.938
C2	C1	F4	109.954	C2	C1	F5	109.954
H3	C1	F4	107.705	H3	C1	F5	107.705
F4	C1	F5	107.343	H6	C2	H7	109.398
H6	C2	H8	109.398	H7	C2	H8	109.462

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

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

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