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	hartrees
Energy at 0K	-3110.598996
Energy at 298.15K
HF Energy	-3109.980077
Nuclear repulsion energy	307.023596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3275	3026	0.89
2	A	3256	3008	0.91
3	A	3206	2962	13.31
4	A	3189	2946	7.54
5	A	1551	1433	3.70
6	A	1543	1426	9.24
7	A	1409	1302	20.27
8	A	1370	1266	49.52
9	A	1282	1184	0.97
10	A	1209	1117	0.78
11	A	1099	1016	1.71
12	A	989	913	8.20
13	A	925	854	17.67
14	A	733	677	18.51
15	A	625	578	10.71
16	A	407	376	6.29
17	A	254	235	1.14
18	A	105	97	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	1.088	-0.382
C2	1.277	0.887	0.402
Br3	-1.347	-0.222	0.036
Cl4	2.156	-0.569	-0.087
H5	-0.418	2.051	-0.140
H6	0.186	1.027	-1.444
H7	1.937	1.726	0.226
H8	1.078	0.808	1.460

	C1	C2	Br3	Cl4	H5	H6	H7	H8
C1		1.5064	1.9300	2.7300	1.0802	1.0785	2.1213	2.1490
C2	1.5064		2.8727	1.7698	2.1267	2.1493	1.0816	1.0792
Br3	1.9300	2.8727		3.5227	2.4620	2.4703	3.8229	2.9949
Cl4	2.7300	1.7698	3.5227		3.6736	2.8768	2.3270	2.3346
H5	1.0802	2.1267	2.4620	3.6736		1.7640	2.4048	2.5185
H6	1.0785	2.1493	2.4703	2.8768	1.7640		2.5182	3.0457
H7	2.1213	1.0816	3.8229	2.3270	2.4048	2.5182		1.7616
H8	2.1490	1.0792	2.9949	2.3346	2.5185	3.0457	1.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.628	C1	C2	H7	109.006
C1	C2	H8	111.359	C2	C1	Br3	112.856
C2	C1	Cl4	36.754	C2	C1	H6	111.431
Br3	C1	H5	106.295	Br3	C1	H6	106.963
Cl4	C2	H7	106.902	Cl4	C2	H8	107.576
H5	C1	H6	109.606	H7	C2	H8	109.227

All results from a given calculation for CH₂BrCH₂Cl (1-bromo-2-chloroethane)

using model chemistry: CID/6-311+G(3df,2p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

	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 CH2BrCH2Cl (1-bromo-2-chloroethane)

using model chemistry: CID/6-311+G(3df,2p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

All results from a given calculation for CH₂BrCH₂Cl (1-bromo-2-chloroethane)