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	hartrees
Energy at 0K	-637.271187
Energy at 298.15K	-637.275982
HF Energy	-636.926133
Nuclear repulsion energy	159.465989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3080	32.91
2	A	3165	3055	3.94
3	A	3154	3045	12.64
4	A	3046	2941	8.92
5	A	1526	1473	7.67
6	A	1522	1469	7.64
7	A	1473	1421	18.14
8	A	1366	1318	14.77
9	A	1324	1278	50.89
10	A	1155	1114	23.75
11	A	1120	1081	51.99
12	A	1042	1006	33.25
13	A	854	824	73.66
14	A	641	619	50.55
15	A	449	434	12.55
16	A	341	329	1.93
17	A	311	300	2.61
18	A	258	249	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.437	0.071	0.415
C2	1.274	-1.090	-0.122
H3	0.461	0.208	1.502
F4	0.919	1.320	-0.169
Cl5	-1.379	-0.109	-0.058
H6	1.187	-1.145	-1.218
H7	2.331	-0.931	0.150
H8	0.926	-2.040	0.315

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5292	1.0960	1.4611	1.8850	2.1703	2.1589	2.1693
C2	1.5292		2.2332	2.4369	2.8294	1.1010	1.1030	1.1021
H3	1.0960	2.2332		2.0593	2.4330	3.1243	2.5736	2.5850
F4	1.4611	2.4369	2.0593		2.7082	2.6924	2.6761	3.3950
Cl5	1.8850	2.8294	2.4330	2.7082		3.0008	3.8054	3.0298
H6	2.1703	1.1010	3.1243	2.6924	3.0008		1.7963	1.7947
H7	2.1589	1.1030	2.5736	2.6761	3.8054	1.7963		1.7982
H8	2.1693	1.1021	2.5850	3.3950	3.0298	1.7947	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.147	C1	C2	H7	109.137
C1	C2	H8	109.996	C2	C1	H3	115.586
C2	C1	F4	109.147	C2	C1	Cl5	111.512
H3	C1	F4	106.408	H3	C1	Cl5	106.384
F4	C1	Cl5	107.392	H6	C2	H7	109.178
H6	C2	H8	109.097	H7	C2	H8	109.267

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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