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	hartrees
Energy at 0K	-278.111188
Energy at 298.15K
HF Energy	-277.076938
Nuclear repulsion energy	133.071286

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'	3220	3082	7.30	32.98	0.70	0.83
2	A'	3151	3016	30.72	95.34	0.24	0.39
3	A'	3115	2981	1.44	139.76	0.01	0.01
4	A'	1508	1443	5.74	5.05	0.74	0.85
5	A'	1460	1397	72.62	1.29	0.27	0.42
6	A'	1406	1346	0.52	0.41	0.62	0.77
7	A'	1179	1128	55.97	2.22	0.14	0.24
8	A'	1176	1126	69.53	3.04	0.58	0.73
9	A'	892	854	7.48	5.63	0.14	0.24
10	A'	577	552	5.40	0.87	0.35	0.52
11	A'	474	454	12.69	0.82	0.63	0.78
12	A"	3218	3080	4.58	43.86	0.75	0.86
13	A"	1509	1444	0.73	3.61	0.75	0.86
14	A"	1412	1352	18.01	4.16	0.75	0.86
15	A"	1170	1120	152.46	1.91	0.75	0.86
16	A"	969	927	59.31	2.45	0.75	0.86
17	A"	387	371	0.18	0.35	0.75	0.86
18	A"	242	231	0.06	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.165	0.000
C2	-0.896	1.028	0.000
H3	1.257	0.715	0.000
F4	0.321	-0.643	1.094
F5	0.321	-0.643	-1.094
H6	-1.777	0.397	0.000
H7	-0.901	1.654	0.883
H8	-0.901	1.654	-0.883

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4913	1.0851	1.3601	1.3601	2.1104	2.1185	2.1185
C2	1.4913		2.1754	2.3384	2.3384	1.0830	1.0827	1.0827
H3	1.0851	2.1754		1.9788	1.9788	3.0500	2.5134	2.5134
F4	1.3601	2.3384	1.9788		2.1873	2.5843	2.6103	3.2675
F5	1.3601	2.3384	1.9788	2.1873		2.5843	3.2675	2.6103
H6	2.1104	1.0830	3.0500	2.5843	2.5843		1.7682	1.7682
H7	2.1185	1.0827	2.5134	2.6103	3.2675	1.7682		1.7662
H8	2.1185	1.0827	2.5134	3.2675	2.6103	1.7682	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.098	C1	C2	H7	109.757
C1	C2	H8	109.757	C2	C1	H3	114.278
C2	C1	F4	110.103	C2	C1	F5	110.103
H3	C1	F4	107.511	H3	C1	F5	107.511
F4	C1	F5	107.043	H6	C2	H7	109.458
H6	C2	H8	109.458	H7	C2	H8	109.299

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

using model chemistry: MP2=FULL/cc-pVQZ

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-pVQZ

States and conformations

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