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	hartrees
Energy at 0K	-7384.454252
Energy at 298.15K
HF Energy	-7384.113128
Nuclear repulsion energy	284.046668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3174	3020	0.87	74.98	0.10	0.18
2	A'	1533	1459	0.04	16.65	0.74	0.85
3	A'	1285	1222	66.61	3.87	0.35	0.52
4	A'	710	675	81.38	5.94	0.72	0.84
5	A'	552	525	15.08	18.43	0.18	0.31
6	A'	198	188	0.20	6.56	0.46	0.63
7	A"	3257	3099	1.21	51.98	0.75	0.86
8	A"	1195	1137	0.01	10.32	0.75	0.86
9	A"	833	792	5.80	2.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.817	-1.108	0.000
Cl2	-0.455	-2.371	0.000
I3	0.000	0.931	0.000
H4	1.416	-1.208	0.902
H5	1.416	-1.208	-0.902

	C1	Cl2	I3	H4	H5
C1		1.7932	2.1968	1.0866	1.0866
Cl2	1.7932		3.3337	2.3802	2.3802
I3	2.1968	3.3337		2.7190	2.7190
H4	1.0866	2.3802	2.7190		1.8033
H5	1.0866	2.3802	2.7190	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	112.950	Cl2	C1	H4	109.006
Cl2	C1	H5	109.006	I3	C1	H4	106.878
I3	C1	H5	106.878	H4	C1	H5	112.155

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: MP2/3-21G*

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 CH2ClI (chloroiodomethane)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)