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	hartrees
Energy at 0K	-500.021165
Energy at 298.15K	-500.024125
HF Energy	-499.846378
Nuclear repulsion energy	51.341016

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	3096	3096	23.34	139.96	0.00	0.01
2	A₁	1396	1396	13.44	0.51	0.36	0.53
3	A₁	737	737	25.95	13.99	0.28	0.44
4	E	3195	3195	5.38	55.91	0.75	0.86
4	E	3195	3195	5.38	55.91	0.75	0.86
5	E	1500	1500	5.66	8.23	0.75	0.86
5	E	1500	1500	5.66	8.22	0.75	0.86
6	E	1038	1038	2.64	2.93	0.75	0.86
6	E	1038	1038	2.64	2.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.128
Cl2	0.000	0.000	0.658
H3	0.000	1.027	-1.471
H4	0.889	-0.514	-1.471
H5	-0.889	-0.514	-1.471

	C1	Cl2	H3	H4	H5
C1		1.7854	1.0829	1.0829	1.0829
Cl2	1.7854		2.3633	2.3633	2.3633
H3	1.0829	2.3633		1.7790	1.7790
H4	1.0829	2.3633	1.7790		1.7790
H5	1.0829	2.3633	1.7790	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.468	Cl2	C1	H4	108.468
Cl2	C1	H5	108.468	H3	C1	H4	110.455
H3	C1	H5	110.455	H4	C1	H5	110.455

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

using model chemistry: B2PLYP=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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