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	hartrees
Energy at 0K	-2612.627628
Energy at 298.15K
HF Energy	-2612.093051
Nuclear repulsion energy	89.681137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3116	3116
2	A₁	1341	1341
3	A₁	642	642
4	E	3190	3190
4	E	3190	3190
5	E	1500	1500
5	E	1499	1499
6	E	978	978
6	E	978	978

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.511
Br2	0.000	0.000	0.417
H3	0.000	1.029	-1.846
H4	0.891	-0.515	-1.846
H5	-0.891	-0.515	-1.846

	C1	Br2	H3	H4	H5
C1		1.9278	1.0824	1.0824	1.0824
Br2	1.9278		2.4864	2.4864	2.4864
H3	1.0824	2.4864		1.7823	1.7823
H4	1.0824	2.4864	1.7823		1.7823
H5	1.0824	2.4864	1.7823	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.062	Br2	C1	H4	108.062
Br2	C1	H5	108.062	H3	C1	H4	110.843
H3	C1	H5	110.843	H4	C1	H5	110.843

All results from a given calculation for CH₃Br (methyl bromide)

using model chemistry: QCISD(T)=FULL/daug-cc-pVTZ

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 CH3Br (methyl bromide)

using model chemistry: QCISD(T)=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃Br (methyl bromide)