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	hartrees
Energy at 0K	-277.640913
Energy at 298.15K
HF Energy	-276.960456
Nuclear repulsion energy	132.051564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3054	14.45
2	A'	3118	2983	51.89
3	A'	3091	2958	4.91
4	A'	1488	1424	18.00
5	A'	1465	1401	76.24
6	A'	1398	1338	2.19
7	A'	1193	1142	100.73
8	A'	1169	1119	24.75
9	A'	891	852	9.15
10	A'	578	553	6.66
11	A'	474	453	14.34
12	A"	3192	3054	10.86
13	A"	1492	1427	0.45
14	A"	1424	1362	40.95
15	A"	1208	1156	151.73
16	A"	983	941	36.23
17	A"	382	365	0.01
18	A"	242	232	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.161	0.000
C2	-0.907	1.035	0.000
H3	1.271	0.732	0.000
F4	0.325	-0.647	1.099
F5	0.325	-0.647	-1.099
H6	-1.803	0.392	0.000
H7	-0.916	1.672	0.899
H8	-0.916	1.672	-0.899

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5106	1.1043	1.3637	1.3637	2.1408	2.1523	2.1523
C2	1.5106		2.1991	2.3565	2.3565	1.1027	1.1021	1.1021
H3	1.1043	2.1991		2.0002	2.0002	3.0927	2.5450	2.5450
F4	1.3637	2.3565	2.0002		2.1972	2.6106	2.6377	3.3028
F5	1.3637	2.3565	2.0002	2.1972		2.6106	3.3028	2.6377
H6	2.1408	1.1027	3.0927	2.6106	2.6106		1.7981	1.7981
H7	2.1523	1.1021	2.5450	2.6377	3.3028	1.7981		1.7982
H8	2.1523	1.1021	2.5450	3.3028	2.6377	1.7981	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.009	C1	C2	H7	109.948
C1	C2	H8	109.948	C2	C1	H3	113.576
C2	C1	F4	110.032	C2	C1	F5	110.032
H3	C1	F4	107.820	H3	C1	F5	107.820
F4	C1	F5	107.338	H6	C2	H7	109.290
H6	C2	H8	109.290	H7	C2	H8	109.339

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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