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	hartrees
Energy at 0K	-3533.262089
Energy at 298.15K
HF Energy	-3533.262089
Nuclear repulsion energy	394.205519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3217	3044	2.02	67.61	0.23	0.38
2	A'	1215	1150	47.69	4.65	0.66	0.80
3	A'	746	706	134.80	6.89	0.70	0.83
4	A'	615	582	17.63	10.17	0.06	0.12
5	A'	333	316	0.22	7.79	0.28	0.43
6	A'	225	212	0.04	5.77	0.63	0.77
7	A"	1253	1185	27.22	4.68	0.75	0.86
8	A"	778	736	149.88	4.94	0.75	0.86
9	A"	218	206	0.06	4.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.673	-0.134	0.000
H2	-1.576	0.460	0.000
Br3	0.814	1.111	0.000
Cl4	-0.673	-1.134	1.461
Cl5	-0.673	-1.134	-1.461

	C1	H2	Br3	Cl4	Cl5
C1		1.0808	1.9394	1.7708	1.7708
H2	1.0808		2.4771	2.3434	2.3434
Br3	1.9394	2.4771		3.0640	3.0640
Cl4	1.7708	2.3434	3.0640		2.9225
Cl5	1.7708	2.3434	3.0640	2.9225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.726	H2	C1	Cl4	108.078
H2	C1	Cl5	108.078	Br3	C1	Cl4	111.264
Br3	C1	Cl5	111.264	Cl4	C1	Cl5	111.220

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

using model chemistry: M06-2X/TZVP

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	-0.182
2	H	0.226
3	Br	-0.020
4	Cl	-0.012
5	Cl	-0.012

	x	y	z	Total
	-0.909	0.737	0.000	1.170
CHELPG
AIM
ESP

	x	y	z
x	6.284	1.879	0.000
y	1.879	7.601	0.000
z	0.000	0.000	7.754

<r²>	234.525
(<r²>)^1/2	15.314

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

using model chemistry: M06-2X/TZVP

States and conformations

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