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	hartrees
Energy at 0K	-277.958384
Energy at 298.15K
HF Energy	-277.055133
Nuclear repulsion energy	133.069799

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'	3210	3047	10.14	32.98	0.67	0.81
2	A'	3153	2993	34.72	101.08	0.27	0.42
3	A'	3120	2963	1.74	125.51	0.01	0.02
4	A'	1514	1438	5.57	6.46	0.74	0.85
5	A'	1468	1394	76.04	1.84	0.28	0.44
6	A'	1410	1338	0.98	0.41	0.75	0.86
7	A'	1185	1125	98.29	2.74	0.64	0.78
8	A'	1179	1119	27.22	2.36	0.21	0.34
9	A'	895	849	7.28	5.25	0.17	0.30
10	A'	579	550	5.55	0.86	0.44	0.61
11	A'	476	452	12.57	0.86	0.65	0.79
12	A"	3208	3046	5.67	46.12	0.75	0.86
13	A"	1516	1439	0.32	4.60	0.75	0.86
14	A"	1427	1355	21.46	5.40	0.75	0.86
15	A"	1182	1123	151.19	2.04	0.75	0.86
16	A"	976	926	51.38	2.79	0.75	0.86
17	A"	389	370	0.10	0.33	0.75	0.86
18	A"	261	248	0.08	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.165	0.000
C2	-0.897	1.025	0.000
H3	1.253	0.719	0.000
F4	0.321	-0.642	1.095
F5	0.321	-0.642	-1.095
H6	-1.774	0.389	0.000
H7	-0.905	1.651	0.884
H8	-0.905	1.651	-0.884

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4915	1.0837	1.3602	1.3602	2.1078	2.1193	2.1193
C2	1.4915		2.1721	2.3372	2.3372	1.0831	1.0829	1.0829
H3	1.0837	2.1721		1.9794	1.9794	3.0454	2.5111	2.5111
F4	1.3602	2.3372	1.9794		2.1898	2.5797	2.6085	3.2672
F5	1.3602	2.3372	1.9794	2.1898		2.5797	3.2672	2.6085
H6	2.1078	1.0831	3.0454	2.5797	2.5797		1.7687	1.7687
H7	2.1193	1.0829	2.5111	2.6085	3.2672	1.7687		1.7674
H8	2.1193	1.0829	2.5111	3.2672	2.6085	1.7687	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.873	C1	C2	H7	109.797
C1	C2	H8	109.797	C2	C1	H3	114.083
C2	C1	F4	109.998	C2	C1	F5	109.998
H3	C1	F4	107.646	H3	C1	F5	107.646
F4	C1	F5	107.207	H6	C2	H7	109.490
H6	C2	H8	109.490	H7	C2	H8	109.380

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

using model chemistry: MP2=FULL/cc-pVTZ

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-pVTZ

States and conformations

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