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	hartrees
Energy at 0K	-637.597551
Energy at 298.15K	-637.602572
HF Energy	-636.986938
Nuclear repulsion energy	166.388853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3273	3058	7.43
2	A	3259	3045	8.00
3	A	3208	2998	20.81
4	A	3155	2948	4.03
5	A	1549	1447	2.20
6	A	1544	1443	3.75
7	A	1475	1378	23.74
8	A	1418	1325	12.48
9	A	1381	1290	55.79
10	A	1181	1103	69.77
11	A	1177	1100	48.73
12	A	1078	1007	22.28
13	A	951	888	51.43
14	A	730	682	55.35
15	A	486	454	8.58
16	A	388	363	2.47
17	A	334	312	1.15
18	A	278	260	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.096	0.391
C2	1.245	-1.038	-0.113
H3	0.423	0.202	1.472
F4	0.847	1.275	-0.163
Cl5	-1.310	-0.124	-0.056
H6	1.168	-1.094	-1.194
H7	2.279	-0.850	0.164
H8	0.922	-1.979	0.320

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5016	1.0864	1.3782	1.7795	2.1258	2.1175	2.1412
C2	1.5016		2.1732	2.3469	2.7141	1.0853	1.0868	1.0853
H3	1.0864	2.1732		2.0012	2.3333	3.0562	2.5028	2.5166
F4	1.3782	2.3469	2.0012		2.5735	2.6032	2.5829	3.2907
Cl5	1.7795	2.7141	2.3333	2.5735		2.8943	3.6686	2.9274
H6	2.1258	1.0853	3.0562	2.6032	2.8943		1.7710	1.7709
H7	2.1175	1.0868	2.5028	2.5829	3.6686	1.7710		1.7720
H8	2.1412	1.0853	2.5166	3.2907	2.9274	1.7709	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.474	C1	C2	H7	108.726
C1	C2	H8	110.703	C2	C1	H3	113.250
C2	C1	F4	109.094	C2	C1	Cl5	111.348
H3	C1	F4	107.992	H3	C1	Cl5	106.490
F4	C1	Cl5	108.504	H6	C2	H7	109.238
H6	C2	H8	109.344	H7	C2	H8	109.333

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

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

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/6-31G**

States and conformations

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