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	hartrees
Energy at 0K	-499.994069
Energy at 298.15K	-499.997031
HF Energy	-499.853951
Nuclear repulsion energy	51.246540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3100	2974	23.64	152.77	0.00	0.00
2	A₁	1393	1336	12.13	0.01	0.06	0.11
3	A₁	733	703	26.16	17.01	0.16	0.27
4	E	3194	3064	3.55	51.03	0.75	0.86
4	E	3194	3064	3.55	51.03	0.75	0.86
5	E	1503	1442	5.89	3.82	0.75	0.86
5	E	1503	1442	5.89	3.82	0.75	0.86
6	E	1039	997	1.98	0.53	0.75	0.86
6	E	1039	997	1.98	0.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.131
Cl2	0.000	0.000	0.659
H3	0.000	1.028	-1.471
H4	0.890	-0.514	-1.471
H5	-0.890	-0.514	-1.471

	C1	Cl2	H3	H4	H5
C1		1.7905	1.0826	1.0826	1.0826
Cl2	1.7905		2.3652	2.3652	2.3652
H3	1.0826	2.3652		1.7805	1.7805
H4	1.0826	2.3652	1.7805		1.7805
H5	1.0826	2.3652	1.7805	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.289	Cl2	C1	H4	108.289
Cl2	C1	H5	108.289	H3	C1	H4	110.627
H3	C1	H5	110.627	H4	C1	H5	110.627

All results from a given calculation for CH₃Cl (Methyl chloride)

using model chemistry: B2PLYP=FULL/aug-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 CH3Cl (Methyl chloride)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃Cl (Methyl chloride)