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	hartrees
Energy at 0K	-497.047848
Energy at 298.15K	-497.050804
HF Energy	-496.794429
Nuclear repulsion energy	50.586455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	2956	16.10
2	A₁	1458	1394	9.60
3	A₁	696	666	22.63
4	E	3180	3042	6.26
4	E	3180	3042	6.26
5	E	1565	1497	7.25
5	E	1565	1497	7.25
6	E	1071	1025	4.31
6	E	1071	1025	4.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.148
Cl2	0.000	0.000	0.668
H3	0.000	1.037	-1.491
H4	0.898	-0.518	-1.491
H5	-0.898	-0.518	-1.491

	C1	Cl2	H3	H4	H5
C1		1.8167	1.0919	1.0919	1.0919
Cl2	1.8167		2.3952	2.3952	2.3952
H3	1.0919	2.3952		1.7958	1.7958
H4	1.0919	2.3952	1.7958		1.7958
H5	1.0919	2.3952	1.7958	1.7958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.277	Cl2	C1	H4	108.277
Cl2	C1	H5	108.277	H3	C1	H4	110.638
H3	C1	H5	110.638	H4	C1	H5	110.638

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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