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	hartrees
Energy at 0K	-277.916534
Energy at 298.15K
HF Energy	-277.055330
Nuclear repulsion energy	132.973151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	2968	14.96
2	A'	3122	2915	34.88
3	A'	3087	2882	2.66
4	A'	1508	1408	7.76
5	A'	1475	1377	73.26
6	A'	1416	1322	0.40
7	A'	1203	1124	97.82
8	A'	1176	1098	29.85
9	A'	896	836	6.32
10	A'	585	546	5.78
11	A'	479	448	13.54
12	A"	3177	2967	9.37
13	A"	1511	1411	0.00
14	A"	1431	1336	27.34
15	A"	1209	1129	157.48
16	A"	991	925	40.04
17	A"	388	363	0.06
18	A"	240	224	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.161	0.000
C2	-0.901	1.032	0.000
H3	1.258	0.718	0.000
F4	0.323	-0.644	1.091
F5	0.323	-0.644	-1.091
H6	-1.788	0.403	0.000
H7	-0.905	1.662	0.887
H8	-0.905	1.662	-0.887

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5020	1.0891	1.3557	1.3557	2.1245	2.1323	2.1323
C2	1.5020		2.1819	2.3446	2.3446	1.0879	1.0876	1.0876
H3	1.0891	2.1819		1.9802	1.9802	3.0627	2.5214	2.5214
F4	1.3557	2.3446	1.9802		2.1815	2.5963	2.6204	3.2766
F5	1.3557	2.3446	1.9802	2.1815		2.5963	3.2766	2.6204
H6	2.1245	1.0879	3.0627	2.5963	2.5963		1.7752	1.7752
H7	2.1323	1.0876	2.5214	2.6204	3.2766	1.7752		1.7738
H8	2.1323	1.0876	2.5214	3.2766	2.6204	1.7752	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.186	C1	C2	H7	109.818
C1	C2	H8	109.818	C2	C1	H3	113.765
C2	C1	F4	110.154	C2	C1	F5	110.154
H3	C1	F4	107.689	H3	C1	F5	107.689
F4	C1	F5	107.135	H6	C2	H7	109.371
H6	C2	H8	109.371	H7	C2	H8	109.262

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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