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	hartrees
Energy at 0K	-277.972793
Energy at 298.15K	-277.967549
HF Energy	-276.936336
Nuclear repulsion energy	133.674990

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'	3308	3308	69.86	23.30	0.07	0.12
2	A'	3287	3287	15.01	123.50	0.50	0.67
3	A'	3213	3213	6.35	99.48	0.03	0.05
4	A'	1620	1620	11.07	15.15	0.75	0.85
5	A'	1590	1590	77.17	2.20	0.39	0.56
6	A'	1525	1525	6.72	0.80	0.75	0.86
7	A'	1274	1274	103.15	2.18	0.46	0.63
8	A'	1245	1245	60.74	5.47	0.56	0.72
9	A'	940	940	11.72	6.75	0.23	0.37
10	A'	617	617	8.06	0.81	0.60	0.75
11	A'	505	505	17.46	0.84	0.56	0.72
12	A"	3296	3296	20.88	58.68	0.75	0.86
13	A"	1624	1624	0.46	9.62	0.75	0.86
14	A"	1549	1549	43.60	9.74	0.75	0.86
15	A"	1287	1287	173.49	2.97	0.75	0.86
16	A"	1063	1063	59.32	4.93	0.75	0.86
17	A"	406	406	0.01	0.18	0.75	0.86
18	A"	256	256	0.09	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.158	0.000
C2	-0.904	1.027	0.000
H3	1.254	0.714	0.000
F4	0.325	-0.640	1.081
F5	0.325	-0.640	-1.081
H6	-1.789	0.396	0.000
H7	-0.916	1.656	0.885
H8	-0.916	1.656	-0.885

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5051	1.0827	1.3436	1.3436	2.1267	2.1369	2.1369
C2	1.5051		2.1804	2.3361	2.3361	1.0860	1.0858	1.0858
H3	1.0827	2.1804		1.9660	1.9660	3.0587	2.5252	2.5252
F4	1.3436	2.3361	1.9660		2.1618	2.5901	2.6174	3.2674
F5	1.3436	2.3361	1.9660	2.1618		2.5901	3.2674	2.6174
H6	2.1267	1.0860	3.0587	2.5901	2.5901		1.7697	1.7697
H7	2.1369	1.0858	2.5252	2.6174	3.2674	1.7697		1.7695
H8	2.1369	1.0858	2.5252	3.2674	2.6174	1.7697	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.253	C1	C2	H7	110.075
C1	C2	H8	110.075	C2	C1	H3	113.830
C2	C1	F4	110.052	C2	C1	F5	110.052
H3	C1	F4	107.767	H3	C1	F5	107.767
F4	C1	F5	107.118	H6	C2	H7	109.140
H6	C2	H8	109.140	H7	C2	H8	109.136

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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