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	hartrees
Energy at 0K	-3110.647165
Energy at 298.15K
HF Energy	-3109.971663
Nuclear repulsion energy	286.792976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	194	189
2	A'	248	242
3	A'	649	633
4	A'	740	721
5	A'	1083	1056
6	A'	1213	1183
7	A'	1305	1273
8	A'	1461	1425
9	A'	1469	1433
10	A'	3097	3020
11	A'	3107	3030
12	A"	109	107
13	A"	754	736
14	A"	969	945
15	A"	1116	1088
16	A"	1276	1245
17	A"	3165	3087
18	A"	3188	3109

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.653	0.000
C2	1.233	-0.238	0.000
Br3	-1.599	-0.492	0.000
Cl4	2.713	0.818	0.000
H5	-0.054	1.276	0.903
H6	-0.054	1.276	-0.903
H7	1.281	-0.864	0.902
H8	1.281	-0.864	-0.902

	C1	C2	Br3	Cl4	H5	H6	H7	H8
C1		1.5211	1.9668	2.7180	1.0988	1.0988	2.1808	2.1808
C2	1.5211		2.8439	1.8176	2.1824	2.1824	1.0994	1.0994
Br3	1.9668	2.8439		4.5068	2.5162	2.5162	3.0410	3.0410
Cl4	2.7180	1.8176	4.5068		2.9462	2.9462	2.3862	2.3862
H5	1.0988	2.1824	2.5162	2.9462		1.8068	2.5222	3.1018
H6	1.0988	2.1824	2.5162	2.9462	1.8068		3.1018	2.5222
H7	2.1808	1.0994	3.0410	2.3862	2.5222	3.1018		1.8041
H8	2.1808	1.0994	3.0410	2.3862	3.1018	2.5222	1.8041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	108.672	C1	C2	H7	111.642
C1	C2	H8	111.642	C2	C1	Br3	108.576
C2	C1	Cl4	39.311	C2	C1	H6	111.810
Br3	C1	H5	106.886	Br3	C1	H6	106.886
Cl4	C2	H7	107.199	Cl4	C2	H8	107.199
H5	C1	H6	110.603	H7	C2	H8	110.271

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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 CH2BrCH2Cl (1-bromo-2-chloroethane)

using model chemistry: MP4=FULL/aug-cc-pVDZ

States and conformations

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