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	hartrees
Energy at 0K	-3513.811322
Energy at 298.15K	-3513.815678
HF Energy	-3513.279935
Nuclear repulsion energy	390.813607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3062	0.19
2	A'	1245	1196	27.29
3	A'	722	694	94.98
4	A'	610	586	5.76
5	A'	326	313	0.26
6	A'	225	216	0.24
7	A"	1290	1240	16.07
8	A"	728	700	109.05
9	A"	218	209	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.691	-0.114	0.000
H2	-1.595	0.490	0.000
Br3	0.836	1.104	0.000
Cl4	-0.691	-1.131	1.479
Cl5	-0.691	-1.131	-1.479

	C1	H2	Br3	Cl4	Cl5
C1		1.0870	1.9536	1.7944	1.7944
H2	1.0870		2.5066	2.3729	2.3729
Br3	1.9536	2.5066		3.0843	3.0843
Cl4	1.7944	2.3729	3.0843		2.9576
Cl5	1.7944	2.3729	3.0843	2.9576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.610	H2	C1	Cl4	108.367
H2	C1	Cl5	108.367	Br3	C1	Cl4	110.687
Br3	C1	Cl5	110.687	Cl4	C1	Cl5	111.002

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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