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	hartrees
Energy at 0K	-3525.656017
Energy at 298.15K
HF Energy	-3525.656017
Nuclear repulsion energy	400.324216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	3039	2.35
2	A'	1133	1114	21.51
3	A'	737	725	132.01
4	A'	624	614	11.94
5	A'	330	325	0.13
6	A'	220	216	0.06
7	A"	1163	1145	14.23
8	A"	755	743	150.68
9	A"	213	209	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.659	-0.120	0.000
H2	-1.584	0.469	0.000
Br3	0.798	1.089	0.000
Cl4	-0.659	-1.113	1.447
Cl5	-0.659	-1.113	-1.447

	C1	H2	Br3	Cl4	Cl5
C1		1.0968	1.8932	1.7551	1.7551
H2	1.0968		2.4620	2.3352	2.3352
Br3	1.8932	2.4620		3.0110	3.0110
Cl4	1.7551	2.3352	3.0110		2.8935
Cl5	1.7551	2.3352	3.0110	2.8935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.867	H2	C1	Cl4	107.694
H2	C1	Cl5	107.694	Br3	C1	Cl4	111.183
Br3	C1	Cl5	111.183	Cl4	C1	Cl5	111.038

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: LSDA/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	-0.195
2	H	0.243
3	Br	0.065
4	Cl	-0.057
5	Cl	-0.057

	x	y	z	Total
	-0.778	0.690	0.000	1.040
CHELPG
AIM
ESP

	x	y	z
x	7.021	1.673	0.000
y	1.673	8.375	0.000
z	0.000	0.000	8.727

<r²>	227.437
(<r²>)^1/2	15.081

All results from a given calculation for CHBrCl2 (Methane, bromodichloro-)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)