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	hartrees
Energy at 0K	-277.601167
Energy at 298.15K
HF Energy	-276.961921
Nuclear repulsion energy	131.544401

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'	3257	3064	9.75	34.66	0.71	0.83
2	A'	3204	3013	30.42	101.21	0.28	0.44
3	A'	3144	2957	2.65	117.90	0.01	0.02
4	A'	1532	1441	5.05	8.48	0.75	0.86
5	A'	1481	1393	68.99	1.70	0.42	0.59
6	A'	1424	1340	8.05	1.09	0.66	0.80
7	A'	1191	1120	22.97	2.26	0.28	0.43
8	A'	1163	1094	101.21	4.21	0.51	0.67
9	A'	890	837	14.00	6.85	0.16	0.28
10	A'	562	529	7.83	0.84	0.38	0.55
11	A'	462	435	13.99	1.10	0.68	0.81
12	A"	3250	3057	6.25	51.19	0.75	0.86
13	A"	1531	1440	1.57	6.29	0.75	0.86
14	A"	1409	1325	28.82	5.52	0.75	0.86
15	A"	1163	1094	139.98	2.26	0.75	0.86
16	A"	966	908	94.32	4.88	0.75	0.86
17	A"	386	363	0.09	0.31	0.75	0.86
18	A"	251	236	0.06	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.176	0.000
C2	-0.905	1.034	0.000
H3	1.269	0.715	0.000
F4	0.323	-0.650	1.110
F5	0.323	-0.650	-1.110
H6	-1.784	0.395	0.000
H7	-0.911	1.663	0.888
H8	-0.911	1.663	-0.888

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4984	1.0884	1.3837	1.3837	2.1187	2.1269	2.1269
C2	1.4984		2.1972	2.3617	2.3617	1.0875	1.0878	1.0878
H3	1.0884	2.1972		1.9972	1.9972	3.0698	2.5380	2.5380
F4	1.3837	2.3617	1.9972		2.2208	2.6009	2.6310	3.2963
F5	1.3837	2.3617	1.9972	2.2208		2.6009	3.2963	2.6310
H6	2.1187	1.0875	3.0698	2.6009	2.6009		1.7773	1.7773
H7	2.1269	1.0878	2.5380	2.6310	3.2963	1.7773		1.7758
H8	2.1269	1.0878	2.5380	3.2963	2.6310	1.7773	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.000	C1	C2	H7	109.630
C1	C2	H8	109.630	C2	C1	H3	115.376
C2	C1	F4	109.993	C2	C1	F5	109.993
H3	C1	F4	107.176	H3	C1	F5	107.176
F4	C1	F5	106.733	H6	C2	H7	109.576
H6	C2	H8	109.576	H7	C2	H8	109.415

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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