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	hartrees
Energy at 0K	-637.616821
Energy at 298.15K	-637.621820
HF Energy	-636.994957
Nuclear repulsion energy	166.165854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3258	3060	7.56
2	A	3247	3049	6.68
3	A	3214	3018	10.90
4	A	3142	2951	4.68
5	A	1533	1440	3.45
6	A	1529	1436	5.02
7	A	1466	1377	24.20
8	A	1391	1307	9.97
9	A	1372	1288	53.11
10	A	1172	1101	17.03
11	A	1144	1075	102.75
12	A	1071	1006	26.45
13	A	924	868	76.38
14	A	734	689	54.49
15	A	484	455	8.13
16	A	386	363	2.87
17	A	335	314	1.32
18	A	268	252	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.394	0.088	0.391
C2	1.253	-1.036	-0.114
H3	0.427	0.211	1.469
F4	0.837	1.286	-0.163
Cl5	-1.308	-0.128	-0.057
H6	1.176	-1.100	-1.196
H7	2.286	-0.841	0.165
H8	0.934	-1.978	0.325

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5021	1.0860	1.3924	1.7727	2.1307	2.1204	2.1365
C2	1.5021		2.1778	2.3594	2.7175	1.0863	1.0876	1.0868
H3	1.0860	2.1778		1.9970	2.3353	3.0628	2.5031	2.5215
F4	1.3924	2.3594	1.9970		2.5721	2.6222	2.5945	3.3016
Cl5	1.7727	2.7175	2.3353	2.5721		2.8999	3.6707	2.9315
H6	2.1307	1.0863	3.0628	2.6222	2.8999		1.7749	1.7719
H7	2.1204	1.0876	2.5031	2.5945	3.6707	1.7749		1.7733
H8	2.1365	1.0868	2.5215	3.3016	2.9315	1.7719	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.762	C1	C2	H7	108.875
C1	C2	H8	110.196	C2	C1	H3	113.624
C2	C1	F4	109.144	C2	C1	Cl5	111.899
H3	C1	F4	106.712	H3	C1	Cl5	107.091
F4	C1	Cl5	108.108	H6	C2	H7	109.467
H6	C2	H8	109.249	H7	C2	H8	109.276

All results from a given calculation for CH₃CHFCl (Ethane, 1-chloro-1-fluoro-)

using model chemistry: MP2=FULL/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 CH3CHFCl (Ethane, 1-chloro-1-fluoro-)

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

States and conformations

All results from a given calculation for CH₃CHFCl (Ethane, 1-chloro-1-fluoro-)