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	hartrees
Energy at 0K	-5643.000222
Energy at 298.15K	-5643.007336
HF Energy	-5643.000222
Nuclear repulsion energy	580.846455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3088	4.27
2	A'	1233	1179	26.61
3	A'	758	725	135.71
4	A'	587	562	8.53
5	A'	288	275	0.04
6	A'	174	167	0.01
7	A"	1182	1131	43.62
8	A"	675	646	124.79
9	A"	208	199	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	0.620	0.000
H2	-1.156	1.193	0.000
Cl3	1.130	1.723	0.000
Br4	-0.238	-0.489	1.574
Br5	-0.238	-0.489	-1.574

	C1	H2	Cl3	Br4	Br5
C1		1.0829	1.7575	1.9255	1.9255
H2	1.0829		2.3475	2.4801	2.4801
Cl3	1.7575	2.3475		3.0402	3.0402
Br4	1.9255	2.4801	3.0402		3.1487
Br5	1.9255	2.4801	3.0402	3.1487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	109.154	H2	C1	Br4	107.741
H2	C1	Br5	107.741	Cl3	C1	Br4	111.190
Cl3	C1	Br5	111.190	Br4	C1	Br5	109.699

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

using model chemistry: B1B95/6-31+G**

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	-0.381
2	H	0.267
3	Cl	0.126
4	Br	-0.006
5	Br	-0.006

	x	y	z	Total
	-0.932	0.488	0.000	1.052
CHELPG
AIM
ESP

	x	y	z
x	7.516	1.335	0.000
y	1.335	8.901	0.000
z	0.000	0.000	10.768

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-31+G**

States and conformations

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