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	hartrees
Energy at 0K	-499.898843
Energy at 298.15K	-499.901812
HF Energy	-499.802732
Nuclear repulsion energy	51.159312

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	3127	3127	23.13	109.47	0.01	0.02
2	A₁	1428	1428	19.27	4.30	0.49	0.66
3	A₁	745	745	27.63	15.15	0.32	0.48
4	E	3236	3236	6.83	58.38	0.75	0.86
4	E	3236	3236	6.83	58.38	0.75	0.86
5	E	1521	1521	5.40	16.50	0.75	0.86
5	E	1521	1521	5.40	16.50	0.75	0.86
6	E	1057	1057	3.57	7.36	0.75	0.86
6	E	1057	1057	3.57	7.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.132
Cl2	0.000	0.000	0.660
H3	0.000	1.029	-1.478
H4	0.891	-0.514	-1.478
H5	-0.891	-0.514	-1.478

	C1	Cl2	H3	H4	H5
C1		1.7917	1.0859	1.0859	1.0859
Cl2	1.7917		2.3733	2.3733	2.3733
H3	1.0859	2.3733		1.7823	1.7823
H4	1.0859	2.3733	1.7823		1.7823
H5	1.0859	2.3733	1.7823	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.628	Cl2	C1	H4	108.628
Cl2	C1	H5	108.628	H3	C1	H4	110.301
H3	C1	H5	110.301	H4	C1	H5	110.301

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

using model chemistry: B2PLYP=FULL/6-31G**

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/6-31G**

States and conformations

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