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	hartrees
Energy at 0K	-277.287374
Energy at 298.15K
HF Energy	-276.854499
Nuclear repulsion energy	128.594681

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'	3200	3040	23.50	22.98	0.45	0.62
2	A'	3174	3015	24.13	108.18	0.39	0.56
3	A'	3096	2941	2.43	95.99	0.02	0.04
4	A'	1562	1484	5.52	17.58	0.75	0.86
5	A'	1504	1429	31.78	3.57	0.74	0.85
6	A'	1446	1374	30.09	3.52	0.75	0.86
7	A'	1210	1149	31.54	2.85	0.36	0.53
8	A'	1131	1075	71.86	5.22	0.67	0.81
9	A'	877	833	16.80	8.36	0.16	0.27
10	A'	537	510	12.63	1.25	0.43	0.60
11	A'	432	411	16.87	1.82	0.73	0.84
12	A"	3190	3031	8.82	52.62	0.75	0.86
13	A"	1562	1484	4.37	15.63	0.75	0.86
14	A"	1425	1354	33.89	7.68	0.75	0.86
15	A"	1184	1125	65.06	5.97	0.75	0.86
16	A"	959	911	75.87	7.40	0.75	0.86
17	A"	372	354	0.01	0.51	0.75	0.86
18	A"	261	248	0.13	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.329	0.191	0.000
C2	-0.917	1.042	0.000
H3	1.277	0.732	0.000
F4	0.329	-0.660	1.152
F5	0.329	-0.660	-1.152
H6	-1.795	0.388	0.000
H7	-0.939	1.675	0.893
H8	-0.939	1.675	-0.893

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5083	1.0916	1.4319	1.4319	2.1335	2.1464	2.1464
C2	1.5083		2.2154	2.4026	2.4026	1.0952	1.0954	1.0954
H3	1.0916	2.2154		2.0402	2.0402	3.0917	2.5684	2.5684
F4	1.4319	2.4026	2.0402		2.3031	2.6339	2.6693	3.3526
F5	1.4319	2.4026	2.0402	2.3031		2.6339	3.3526	2.6693
H6	2.1335	1.0952	3.0917	2.6339	2.6339		1.7856	1.7856
H7	2.1464	1.0954	2.5684	2.6693	3.3526	1.7856		1.7869
H8	2.1464	1.0954	2.5684	3.3526	2.6693	1.7856	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.035	C1	C2	H7	110.038
C1	C2	H8	110.038	C2	C1	H3	115.963
C2	C1	F4	109.582	C2	C1	F5	109.582
H3	C1	F4	107.130	H3	C1	F5	107.130
F4	C1	F5	107.072	H6	C2	H7	109.203
H6	C2	H8	109.203	H7	C2	H8	109.304

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-)