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	hartrees
Energy at 0K	-5637.380489
Energy at 298.15K	-5637.387634
HF Energy	-5637.380489
Nuclear repulsion energy	567.347254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3435	3101	2.52
2	A'	1336	1206	31.03
3	A'	761	687	121.01
4	A'	575	519	6.68
5	A'	289	261	0.28
6	A'	178	161	0.14
7	A"	1291	1166	48.57
8	A"	708	639	102.40
9	A"	210	189	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.603	0.000
H2	-1.143	1.180	0.000
Cl3	1.159	1.770	0.000
Br4	-0.244	-0.499	1.616
Br5	-0.244	-0.499	-1.616

	C1	H2	Cl3	Br4	Br5
C1		1.0678	1.8246	1.9557	1.9557
H2	1.0678		2.3756	2.4973	2.4973
Cl3	1.8246	2.3756		3.1187	3.1187
Br4	1.9557	2.4973	3.1187		3.2314
Br5	1.9557	2.4973	3.1187	3.2314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.539	H2	C1	Br4	107.722
H2	C1	Br5	107.722	Cl3	C1	Br4	111.124
Cl3	C1	Br5	111.124	Br4	C1	Br5	111.409

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: HF/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	-0.777
2	H	0.329
3	Cl	0.106
4	Br	0.171
5	Br	0.171

	x	y	z	Total
	-1.510	0.356	0.000	1.551
CHELPG
AIM
ESP

	x	y	z
x	4.220	1.788	0.000
y	1.788	6.319	0.000
z	0.000	0.000	8.472

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHClBr2 (Methane, dibromochloro-)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)