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	hartrees
Energy at 0K	-3068.420399
Energy at 298.15K	-3068.425554
HF Energy	-3068.220338
Nuclear repulsion energy	210.350540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3041	4.69
2	A'	1480	1426	0.26
3	A'	1275	1229	52.98
4	A'	653	629	80.65
5	A'	560	539	17.51
6	A'	212	204	0.39
7	A"	3252	3134	0.20
8	A"	1149	1107	0.01
9	A"	848	817	4.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.066	0.000
Br2	0.891	-0.723	0.000
Cl3	-1.869	0.925	0.000
H4	0.292	1.587	0.911
H5	0.292	1.587	-0.911

	C1	Br2	Cl3	H4	H5
C1		1.9989	1.8742	1.0894	1.0894
Br2	1.9989		3.2144	2.5548	2.5548
Cl3	1.8742	3.2144		2.4365	2.4365
H4	1.0894	2.5548	2.4365		1.8223
H5	1.0894	2.5548	2.4365	1.8223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.148	Br2	C1	H4	107.989
Br2	C1	H5	107.989	Cl3	C1	H4	107.639
Cl3	C1	H5	107.639	H4	C1	H5	113.520

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

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 CH2BrCl (Methane, bromochloro-)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)