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	hartrees
Energy at 0K	-3110.720255
Energy at 298.15K
HF Energy	-3109.979931
Nuclear repulsion energy	306.028007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3006	1.12
2	A	3170	2989	1.02
3	A	3118	2941	12.89
4	A	3103	2927	7.47
5	A	1505	1420	3.89
6	A	1498	1412	8.00
7	A	1365	1287	18.32
8	A	1329	1253	42.97
9	A	1242	1172	1.01
10	A	1173	1106	0.87
11	A	1070	1009	1.55
12	A	961	906	7.00
13	A	898	847	15.98
14	A	714	674	14.88
15	A	610	575	7.92
16	A	396	374	5.51
17	A	248	234	1.03
18	A	103	97	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	1.097	-0.384
C2	1.282	0.893	0.404
Br3	-1.348	-0.224	0.036
Cl4	2.157	-0.574	-0.087
H5	-0.422	2.066	-0.140
H6	0.189	1.037	-1.454
H7	1.949	1.735	0.226
H8	1.080	0.815	1.469

	C1	C2	Br3	Cl4	H5	H6	H7	H8
C1		1.5128	1.9387	2.7389	1.0877	1.0861	2.1337	2.1601
C2	1.5128		2.8813	1.7781	2.1391	2.1604	1.0889	1.0867
Br3	1.9387	2.8813		3.5245	2.4759	2.4845	3.8404	3.0046
Cl4	2.7389	1.7781	3.5245		3.6912	2.8872	2.3401	2.3477
H5	1.0877	2.1391	2.4759	3.6912		1.7768	2.4227	2.5322
H6	1.0861	2.1604	2.4845	2.8872	1.7768		2.5315	3.0636
H7	2.1337	1.0889	3.8404	2.3401	2.4227	2.5315		1.7745
H8	2.1601	1.0867	3.0046	2.3477	2.5322	3.0636	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.415	C1	C2	H7	109.109
C1	C2	H8	111.342	C2	C1	Br3	112.611
C2	C1	Cl4	36.881	C2	C1	H6	111.404
Br3	C1	H5	106.371	Br3	C1	H6	107.047
Cl4	C2	H7	106.944	Cl4	C2	H8	107.606
H5	C1	H6	109.641	H7	C2	H8	109.291

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

using model chemistry: CCD/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: CCD/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)