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	hartrees
Energy at 0K	-637.875732
Energy at 298.15K	-637.880695
HF Energy	-637.090353
Nuclear repulsion energy	166.745170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3051	5.51
2	A	3194	3039	6.90
3	A	3160	3007	9.91
4	A	3097	2947	3.96
5	A	1499	1427	3.76
6	A	1495	1423	3.85
7	A	1426	1356	26.27
8	A	1388	1320	3.53
9	A	1326	1262	40.04
10	A	1150	1094	57.74
11	A	1146	1090	78.24
12	A	1048	997	22.41
13	A	923	878	52.54
14	A	717	682	53.50
15	A	481	458	7.06
16	A	385	367	2.02
17	A	329	313	1.30
18	A	258	246	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.099	0.388
C2	1.243	-1.037	-0.112
H3	0.421	0.215	1.467
F4	0.839	1.276	-0.164
Cl5	-1.305	-0.126	-0.056
H6	1.163	-1.102	-1.193
H7	2.280	-0.853	0.163
H8	0.913	-1.972	0.330

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5006	1.0851	1.3730	1.7753	2.1269	2.1196	2.1347
C2	1.5006		2.1763	2.3492	2.7065	1.0864	1.0880	1.0860
H3	1.0851	2.1763		1.9899	2.3264	3.0594	2.5096	2.5141
F4	1.3730	2.3492	1.9899		2.5639	2.6113	2.5920	3.2872
Cl5	1.7753	2.7065	2.3264	2.5639		2.8866	3.6640	2.9114
H6	2.1269	1.0864	3.0594	2.6113	2.8866		1.7745	1.7725
H7	2.1196	1.0880	2.5096	2.5920	3.6640	1.7745		1.7746
H8	2.1347	1.0860	2.5141	3.2872	2.9114	1.7725	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.555	C1	C2	H7	108.888
C1	C2	H8	110.205	C2	C1	H3	113.667
C2	C1	F4	109.593	C2	C1	Cl5	111.139
H3	C1	F4	107.530	H3	C1	Cl5	106.327
F4	C1	Cl5	108.375	H6	C2	H7	109.389
H6	C2	H8	109.354	H7	C2	H8	109.434

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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