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	hartrees
Energy at 0K	-499.901672
Energy at 298.15K	-499.904638
HF Energy	-499.804589
Nuclear repulsion energy	51.115347

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	3122	2969	26.17	121.34	0.01	0.01
2	A₁	1425	1355	20.37	2.28	0.69	0.82
3	A₁	739	702	28.66	19.25	0.26	0.41
4	E	3230	3072	5.74	63.50	0.75	0.86
4	E	3230	3072	5.74	63.50	0.75	0.86
5	E	1509	1435	5.92	10.65	0.75	0.86
5	E	1509	1435	5.92	10.65	0.75	0.86
6	E	1053	1001	3.33	4.70	0.75	0.86
6	E	1053	1001	3.33	4.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.133
Cl2	0.000	0.000	0.661
H3	0.000	1.030	-1.479
H4	0.892	-0.515	-1.479
H5	-0.892	-0.515	-1.479

	C1	Cl2	H3	H4	H5
C1		1.7938	1.0861	1.0861	1.0861
Cl2	1.7938		2.3745	2.3745	2.3745
H3	1.0861	2.3745		1.7833	1.7833
H4	1.0861	2.3745	1.7833		1.7833
H5	1.0861	2.3745	1.7833	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.570	Cl2	C1	H4	108.570
Cl2	C1	H5	108.570	H3	C1	H4	110.357
H3	C1	H5	110.357	H4	C1	H5	110.357

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

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

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/6-31+G**

States and conformations

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