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	hartrees
Energy at 0K	-277.623350
Energy at 298.15K
HF Energy	-276.960410
Nuclear repulsion energy	131.977361

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'	3230	3069	9.43	46.22	0.73	0.85
2	A'	3141	2985	55.30	116.41	0.24	0.39
3	A'	3115	2961	3.58	101.48	0.02	0.04
4	A'	1487	1414	11.09	12.20	0.74	0.85
5	A'	1457	1384	86.08	2.22	0.34	0.51
6	A'	1391	1322	0.99	0.62	0.74	0.85
7	A'	1179	1120	100.00	4.64	0.75	0.86
8	A'	1169	1111	25.60	1.69	0.05	0.09
9	A'	888	844	9.69	5.52	0.22	0.36
10	A'	573	544	6.28	0.92	0.54	0.70
11	A'	470	447	13.34	1.02	0.64	0.78
12	A"	3229	3069	7.28	55.36	0.75	0.86
13	A"	1491	1417	0.01	7.95	0.75	0.86
14	A"	1416	1346	34.94	9.60	0.75	0.86
15	A"	1185	1126	151.41	2.70	0.75	0.86
16	A"	971	923	43.94	3.54	0.75	0.86
17	A"	381	362	0.03	0.36	0.75	0.86
18	A"	249	236	0.10	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.164	0.000
C2	-0.905	1.032	0.000
H3	1.269	0.730	0.000
F4	0.324	-0.646	1.103
F5	0.324	-0.646	-1.103
H6	-1.796	0.388	0.000
H7	-0.916	1.667	0.897
H8	-0.916	1.667	-0.897

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5049	1.1018	1.3682	1.3682	2.1323	2.1453	2.1453
C2	1.5049		2.1950	2.3542	2.3542	1.0994	1.0989	1.0989
H3	1.1018	2.1950		2.0008	2.0008	3.0845	2.5410	2.5410
F4	1.3682	2.3542	2.0008		2.2060	2.6043	2.6328	3.2995
F5	1.3682	2.3542	2.0008	2.2060		2.6043	3.2995	2.6328
H6	2.1323	1.0994	3.0845	2.6043	2.6043		1.7929	1.7929
H7	2.1453	1.0989	2.5410	2.6328	3.2995	1.7929		1.7930
H8	2.1453	1.0989	2.5410	3.2995	2.6328	1.7929	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.930	C1	C2	H7	109.985
C1	C2	H8	109.985	C2	C1	H3	113.821
C2	C1	F4	109.962	C2	C1	F5	109.962
H3	C1	F4	107.711	H3	C1	F5	107.711
F4	C1	F5	107.445	H6	C2	H7	109.292
H6	C2	H8	109.292	H7	C2	H8	109.339

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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