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	hartrees
Energy at 0K	-3531.192199
Energy at 298.15K
HF Energy	-3529.881345
Nuclear repulsion energy	395.671647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3182	3182
2	A'	1210	1210
3	A'	752	752
4	A'	616	616
5	A'	331	331
6	A'	224	224
7	A"	1240	1240
8	A"	790	790
9	A"	217	217

Atom	x (Å)	y (Å)	z (Å)
C1	-0.671	-0.133	0.000
H2	-1.573	0.459	0.000
Br3	0.811	1.106	0.000
Cl4	-0.671	-1.129	1.457
Cl5	-0.671	-1.129	-1.457

	C1	H2	Br3	Cl4	Cl5
C1		1.0796	1.9322	1.7642	1.7642
H2	1.0796		2.4708	2.3361	2.3361
Br3	1.9322	2.4708		3.0520	3.0520
Cl4	1.7642	2.3361	3.0520		2.9130
Cl5	1.7642	2.3361	3.0520	2.9130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.804	H2	C1	Cl4	108.036
H2	C1	Cl5	108.036	Br3	C1	Cl4	111.229
Br3	C1	Cl5	111.229	Cl4	C1	Cl5	111.296

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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)=FULL/Def2TZVPP

States and conformations

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