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	hartrees
Energy at 0K	-3527.823058
Energy at 298.15K	-3527.827497
HF Energy	-3527.276315
Nuclear repulsion energy	393.364479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3073	0.05
2	A'	1241	1182	38.12
3	A'	762	726	101.81
4	A'	616	586	20.72
5	A'	342	326	0.45
6	A'	231	220	0.02
7	A"	1309	1246	24.78
8	A"	824	785	119.93
9	A"	225	215	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.682	-0.140	0.000
H2	-1.579	0.473	0.000
Br3	0.825	1.108	0.000
Cl4	-0.682	-1.130	1.463
Cl5	-0.682	-1.130	-1.463

	C1	H2	Br3	Cl4	Cl5
C1		1.0864	1.9568	1.7666	1.7666
H2	1.0864		2.4869	2.3483	2.3483
Br3	1.9568	2.4869		3.0693	3.0693
Cl4	1.7666	2.3483	3.0693		2.9262
Cl5	1.7666	2.3483	3.0693	2.9262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.048	H2	C1	Cl4	108.426
H2	C1	Cl5	108.426	Br3	C1	Cl4	110.938
Br3	C1	Cl5	110.938	Cl4	C1	Cl5	111.832

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

using model chemistry: QCISD/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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All results from a given calculation for CHBrCl2 (Methane, bromodichloro-)

using model chemistry: QCISD/6-31G*

States and conformations

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