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	hartrees
Energy at 0K	-277.620827
Energy at 298.15K
HF Energy	-276.962573
Nuclear repulsion energy	131.837677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3048	15.68
2	A'	3190	3006	29.66
3	A'	3132	2951	3.72
4	A'	1536	1447	4.70
5	A'	1494	1408	66.85
6	A'	1436	1353	8.80
7	A'	1194	1125	21.05
8	A'	1185	1116	102.70
9	A'	897	846	12.26
10	A'	570	537	7.91
11	A'	469	442	15.19
12	A"	3228	3042	9.83
13	A"	1535	1447	0.79
14	A"	1426	1343	34.53
15	A"	1191	1122	149.46
16	A"	989	932	71.78
17	A"	388	365	0.04
18	A"	246	232	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.172	0.000
C2	-0.906	1.036	0.000
H3	1.267	0.716	0.000
F4	0.324	-0.649	1.104
F5	0.324	-0.649	-1.104
H6	-1.788	0.398	0.000
H7	-0.911	1.665	0.889
H8	-0.911	1.665	-0.889

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5026	1.0889	1.3764	1.3764	2.1239	2.1313	2.1313
C2	1.5026		2.1961	2.3603	2.3603	1.0884	1.0886	1.0886
H3	1.0889	2.1961		1.9935	1.9935	3.0715	2.5363	2.5363
F4	1.3764	2.3603	1.9935		2.2088	2.6032	2.6318	3.2941
F5	1.3764	2.3603	1.9935	2.2088		2.6032	3.2941	2.6318
H6	2.1239	1.0884	3.0715	2.6032	2.6032		1.7783	1.7783
H7	2.1313	1.0886	2.5363	2.6318	3.2941	1.7783		1.7770
H8	2.1313	1.0886	2.5363	3.2941	2.6318	1.7783	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.068	C1	C2	H7	109.640
C1	C2	H8	109.640	C2	C1	H3	114.932
C2	C1	F4	110.060	C2	C1	F5	110.060
H3	C1	F4	107.352	H3	C1	F5	107.352
F4	C1	F5	106.723	H6	C2	H7	109.537
H6	C2	H8	109.537	H7	C2	H8	109.405

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

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

States and conformations

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