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	hartrees
Energy at 0K	-499.988556
Energy at 298.15K	-499.991519
HF Energy	-499.822303
Nuclear repulsion energy	50.989573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	3097	23.50
2	A₁	1373	1373	16.49
3	A₁	738	738	27.08
4	E	3212	3212	5.43
4	E	3212	3212	5.43
5	E	1474	1474	5.67
5	E	1474	1474	5.67
6	E	1025	1025	3.21
6	E	1025	1025	3.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.133
Cl2	0.000	0.000	0.661
H3	0.000	1.039	-1.481
H4	0.899	-0.519	-1.481
H5	-0.899	-0.519	-1.481

	C1	Cl2	H3	H4	H5
C1		1.7948	1.0952	1.0952	1.0952
Cl2	1.7948		2.3808	2.3808	2.3808
H3	1.0952	2.3808		1.7988	1.7988
H4	1.0952	2.3808	1.7988		1.7988
H5	1.0952	2.3808	1.7988	1.7988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.505	Cl2	C1	H4	108.505
Cl2	C1	H5	108.505	H3	C1	H4	110.420
H3	C1	H5	110.420	H4	C1	H5	110.420

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

using model chemistry: B2PLYP=FULL/cc-pCVDZ

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/cc-pCVDZ

States and conformations

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