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	hartrees
Energy at 0K	-3110.590267
Energy at 298.15K
HF Energy	-3109.961034
Nuclear repulsion energy	287.212983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	197	190
2	A'	252	243
3	A'	662	639
4	A'	766	739
5	A'	1085	1047
6	A'	1221	1178
7	A'	1320	1274
8	A'	1477	1425
9	A'	1485	1433
10	A'	3114	3006
11	A'	3123	3014
12	A"	117	113
13	A"	763	736
14	A"	976	942
15	A"	1124	1085
16	A"	1287	1242
17	A"	3180	3069
18	A"	3203	3091

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.643	0.000
C2	1.242	-0.236	0.000
Br3	-1.600	-0.488	0.000
Cl4	2.709	0.814	0.000
H5	-0.047	1.275	0.900
H6	-0.047	1.275	-0.900
H7	1.283	-0.872	0.899
H8	1.283	-0.872	-0.899

	C1	C2	Br3	Cl4	H5	H6	H7	H8
C1		1.5221	1.9592	2.7148	1.1010	1.1010	2.1792	2.1792
C2	1.5221		2.8529	1.8043	2.1812	2.1812	1.1014	1.1014
Br3	1.9592	2.8529		4.5013	2.5158	2.5158	3.0436	3.0436
Cl4	2.7148	1.8043	4.5013		2.9364	2.9364	2.3840	2.3840
H5	1.1010	2.1812	2.5158	2.9364		1.8009	2.5254	3.1008
H6	1.1010	2.1812	2.5158	2.9364	1.8009		3.1008	2.5254
H7	2.1792	1.1014	3.0436	2.3840	2.5254	3.1008		1.7975
H8	2.1792	1.1014	3.0436	2.3840	3.1008	2.5254	1.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.106	C1	C2	H7	111.317
C1	C2	H8	111.317	C2	C1	Br3	109.426
C2	C1	Cl4	38.902	C2	C1	H6	111.502
Br3	C1	H5	107.241	Br3	C1	H6	107.241
Cl4	C2	H7	107.800	Cl4	C2	H8	107.800
H5	C1	H6	109.747	H7	C2	H8	109.372

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

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

States and conformations

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