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	hartrees
Energy at 0K	-497.575623
Energy at 298.15K	-497.578573
HF Energy	-497.496921
Nuclear repulsion energy	50.646647

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	3125	3125	16.02	95.46	0.01	0.02
2	A₁	1453	1453	9.66	4.20	0.55	0.71
3	A₁	686	686	27.39	16.45	0.32	0.49
4	E	3221	3221	4.56	53.85	0.75	0.86
4	E	3221	3221	4.56	53.85	0.75	0.86
5	E	1569	1569	9.14	20.28	0.75	0.86
5	E	1569	1569	9.14	20.28	0.75	0.86
6	E	1068	1068	5.71	8.39	0.75	0.86
6	E	1068	1068	5.71	8.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.149
Cl2	0.000	0.000	0.668
H3	0.000	1.033	-1.488
H4	0.894	-0.516	-1.488
H5	-0.894	-0.516	-1.488

	C1	Cl2	H3	H4	H5
C1		1.8170	1.0869	1.0869	1.0869
Cl2	1.8170		2.3905	2.3905	2.3905
H3	1.0869	2.3905		1.7888	1.7888
H4	1.0869	2.3905	1.7888		1.7888
H5	1.0869	2.3905	1.7888	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.167	Cl2	C1	H4	108.167
Cl2	C1	H5	108.167	H3	C1	H4	110.743
H3	C1	H5	110.743	H4	C1	H5	110.743

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

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

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