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	hartrees
Energy at 0K	-132.373003
Energy at 298.15K	-132.375259
HF Energy	-131.936808
Nuclear repulsion energy	59.897163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3115	2953	15.93
2	A₁	2173	2060	79.96
3	A₁	1487	1410	5.32
4	A₁	964	914	20.17
5	E	3215	3047	4.29
5	E	3215	3047	4.29
6	E	1522	1442	10.41
6	E	1522	1442	10.41
7	E	1171	1110	0.58
7	E	1171	1110	0.58
8	E	223	211	0.37
8	E	223	211	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.113
N2	0.000	0.000	0.310
C3	0.000	0.000	1.488
H4	0.000	1.026	-1.474
H5	0.888	-0.513	-1.474
H6	-0.888	-0.513	-1.474

	C1	N2	C3	H4	H5	H6
C1		1.4232	2.6014	1.0872	1.0872	1.0872
N2	1.4232		1.1782	2.0579	2.0579	2.0579
C3	2.6014	1.1782		3.1348	3.1348	3.1348
H4	1.0872	2.0579	3.1348		1.7764	1.7764
H5	1.0872	2.0579	3.1348	1.7764		1.7764
H6	1.0872	2.0579	3.1348	1.7764	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.384
N2	C1	H5	109.384	N2	C1	H6	109.384
H4	C1	H5	109.558	H4	C1	H6	109.558
H5	C1	H6	109.558

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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