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	hartrees
Energy at 0K	-3530.632012
Energy at 298.15K
HF Energy	-3529.841203
Nuclear repulsion energy	394.802780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3172	3026
2	A'	1210	1154
3	A'	749	714
4	A'	614	585
5	A'	336	320
6	A'	226	216
7	A"	1250	1192
8	A"	793	757
9	A"	219	209

Atom	x (Å)	y (Å)	z (Å)
C1	-0.676	-0.134	0.000
H2	-1.580	0.463	0.000
Br3	0.817	1.107	0.000
Cl4	-0.676	-1.130	1.457
Cl5	-0.676	-1.130	-1.457

	C1	H2	Br3	Cl4	Cl5
C1		1.0835	1.9417	1.7650	1.7650
H2	1.0835		2.4824	2.3407	2.3407
Br3	1.9417	2.4824		3.0592	3.0592
Cl4	1.7650	2.3407	3.0592		2.9137
Cl5	1.7650	2.3407	3.0592	2.9137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.827	H2	C1	Cl4	108.125
H2	C1	Cl5	108.125	Br3	C1	Cl4	111.152
Br3	C1	Cl5	111.152	Cl4	C1	Cl5	111.262

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

using model chemistry: QCISD(T)/6-311+G(3df,2p)

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(T)/6-311+G(3df,2p)

States and conformations

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