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	hartrees
Energy at 0K	-3530.098598
Energy at 298.15K
HF Energy	-3530.098598
Nuclear repulsion energy	394.808629

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'	3210	3063	0.52	70.26	0.28	0.43
2	A'	1205	1150	35.78	6.01	0.65	0.79
3	A'	737	703	135.07	3.78	0.59	0.74
4	A'	614	586	26.03	9.66	0.04	0.08
5	A'	340	324	0.28	8.22	0.24	0.39
6	A'	227	217	0.00	5.11	0.57	0.73
7	A"	1259	1202	22.94	7.23	0.75	0.86
8	A"	783	747	163.79	2.53	0.75	0.86
9	A"	222	211	0.03	4.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.672	-0.141	0.000
H2	-1.575	0.462	0.000
Br3	0.812	1.108	0.000
Cl4	-0.672	-1.130	1.462
Cl5	-0.672	-1.130	-1.462

	C1	H2	Br3	Cl4	Cl5
C1		1.0862	1.9396	1.7651	1.7651
H2	1.0862		2.4732	2.3426	2.3426
Br3	1.9396	2.4732		3.0574	3.0574
Cl4	1.7651	2.3426	3.0574		2.9243
Cl5	1.7651	2.3426	3.0574	2.9243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.195	H2	C1	Cl4	108.120
H2	C1	Cl5	108.120	Br3	C1	Cl4	111.145
Br3	C1	Cl5	111.145	Cl4	C1	Cl5	111.859

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

using model chemistry: HSEh1PBE/6-31G**

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	-0.370
2	H	0.263
3	Br	-0.016
4	Cl	0.062
5	Cl	0.062

	x	y	z	Total
	-0.909	0.734	0.000	1.168
CHELPG
AIM
ESP

	x	y	z
x	5.802	1.711	0.000
y	1.711	7.190	0.000
z	0.000	0.000	7.546

<r²>	233.445
(<r²>)^1/2	15.279

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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