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	hartrees
Energy at 0K	-132.329793
Energy at 298.15K	-132.332195
HF Energy	-131.896241
Nuclear repulsion energy	59.739655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	2946	16.14
2	A₁	2183	2040	69.19
3	A₁	1507	1408	5.96
4	A₁	984	919	18.90
5	E	3259	3046	5.37
5	E	3259	3046	5.37
6	E	1553	1451	8.32
6	E	1553	1451	8.32
7	E	1181	1103	0.28
7	E	1181	1103	0.28
8	E	277	259	0.50
8	E	277	259	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.115
N2	0.000	0.000	0.307
C3	0.000	0.000	1.495
H4	0.000	1.023	-1.478
H5	0.886	-0.512	-1.478
H6	-0.886	-0.512	-1.478

	C1	N2	C3	H4	H5	H6
C1		1.4217	2.6098	1.0857	1.0857	1.0857
N2	1.4217		1.1881	2.0573	2.0573	2.0573
C3	2.6098	1.1881		3.1440	3.1440	3.1440
H4	1.0857	2.0573	3.1440		1.7722	1.7722
H5	1.0857	2.0573	3.1440	1.7722		1.7722
H6	1.0857	2.0573	3.1440	1.7722	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.535
N2	C1	H5	109.535	N2	C1	H6	109.535
H4	C1	H5	109.407	H4	C1	H6	109.407
H5	C1	H6	109.407

All results from a given calculation for CH₃NC (methyl isocyanide)

using model chemistry: MP2=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 CH3NC (methyl isocyanide)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃NC (methyl isocyanide)