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	hartrees
Energy at 0K	-3530.479628
Energy at 298.15K
HF Energy	-3529.831296
Nuclear repulsion energy	391.339746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3168	3168
2	A'	1192	1192
3	A'	732	732
4	A'	605	605
5	A'	328	328
6	A'	223	223
7	A"	1223	1223
8	A"	767	767
9	A"	218	218

Atom	x (Å)	y (Å)	z (Å)
C1	-0.680	-0.127	0.000
H2	-1.596	0.474	0.000
Br3	0.823	1.115	0.000
Cl4	-0.680	-1.139	1.473
Cl5	-0.680	-1.139	-1.473

	C1	H2	Br3	Cl4	Cl5
C1		1.0956	1.9503	1.7873	1.7873
H2	1.0956		2.5031	2.3688	2.3688
Br3	1.9503	2.5031		3.0844	3.0844
Cl4	1.7873	2.3688	3.0844		2.9461
Cl5	1.7873	2.3688	3.0844	2.9461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.173	H2	C1	Cl4	108.095
H2	C1	Cl5	108.095	Br3	C1	Cl4	111.149
Br3	C1	Cl5	111.149	Cl4	C1	Cl5	111.005

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

using model chemistry: QCISD(T)/daug-cc-pVDZ

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)/daug-cc-pVDZ

States and conformations

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