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	hartrees
Energy at 0K	-277.590069
Energy at 298.15K
HF Energy	-276.949688
Nuclear repulsion energy	132.209320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3268	3054	10.65	40.07	0.74	0.85
2	A'	3179	2970	53.20	92.60	0.26	0.41
3	A'	3156	2949	2.71	86.00	0.02	0.04
4	A'	1550	1448	4.15	14.58	0.75	0.86
5	A'	1500	1401	75.45	2.85	0.66	0.79
6	A'	1443	1348	4.76	1.01	0.75	0.86
7	A'	1202	1123	26.32	1.83	0.09	0.16
8	A'	1190	1112	88.37	4.96	0.74	0.85
9	A'	905	846	9.02	6.42	0.22	0.36
10	A'	571	534	7.07	0.81	0.50	0.66
11	A'	469	439	12.73	0.97	0.66	0.79
12	A"	3264	3050	8.65	48.58	0.75	0.86
13	A"	1551	1449	0.05	10.72	0.75	0.86
14	A"	1455	1359	40.11	8.75	0.75	0.86
15	A"	1208	1129	126.21	3.09	0.75	0.86
16	A"	1000	934	49.94	5.03	0.75	0.86
17	A"	387	361	0.04	0.22	0.75	0.86
18	A"	267	250	0.09	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.169	0.000
C2	-0.906	1.023	0.000
H3	1.258	0.731	0.000
F4	0.325	-0.642	1.106
F5	0.325	-0.642	-1.106
H6	-1.778	0.376	0.000
H7	-0.923	1.650	0.886
H8	-0.923	1.650	-0.886

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4979	1.0894	1.3718	1.3718	2.1130	2.1298	2.1298
C2	1.4979		2.1839	2.3476	2.3476	1.0859	1.0858	1.0858
H3	1.0894	2.1839		1.9951	1.9951	3.0570	2.5276	2.5276
F4	1.3718	2.3476	1.9951		2.2119	2.5849	2.6197	3.2836
F5	1.3718	2.3476	1.9951	2.2119		2.5849	3.2836	2.6197
H6	2.1130	1.0859	3.0570	2.5849	2.5849		1.7721	1.7721
H7	2.1298	1.0858	2.5276	2.6197	3.2836	1.7721		1.7720
H8	2.1298	1.0858	2.5276	3.2836	2.6197	1.7721	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.678	C1	C2	H7	110.015
C1	C2	H8	110.015	C2	C1	H3	114.221
C2	C1	F4	109.704	C2	C1	F5	109.704
H3	C1	F4	107.764	H3	C1	F5	107.764
F4	C1	F5	107.446	H6	C2	H7	109.374
H6	C2	H8	109.374	H7	C2	H8	109.368

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

using model chemistry: MP2=FULL/6-31G**

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: MP2=FULL/6-31G**

States and conformations

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