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	hartrees
Energy at 0K	-132.314045
Energy at 298.15K	-132.316486
Nuclear repulsion energy	60.200966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	2926	19.11
2	A₁	2338	2172	152.70
3	A₁	1525	1416	4.27
4	A₁	1003	932	22.74
5	E	3237	3008	8.32
5	E	3237	3008	8.32
6	E	1558	1448	11.46
6	E	1558	1448	11.46
7	E	1197	1112	0.22
7	E	1197	1112	0.22
8	E	289	268	0.85
8	E	289	268	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.109
N2	0.000	0.000	0.314
C3	0.000	0.000	1.478
H4	0.000	1.024	-1.471
H5	0.887	-0.512	-1.471
H6	-0.887	-0.512	-1.471

	C1	N2	C3	H4	H5	H6
C1		1.4230	2.5864	1.0865	1.0865	1.0865
N2	1.4230		1.1634	2.0581	2.0581	2.0581
C3	2.5864	1.1634		3.1213	3.1213	3.1213
H4	1.0865	2.0581	3.1213		1.7744	1.7744
H5	1.0865	2.0581	3.1213	1.7744		1.7744
H6	1.0865	2.0581	3.1213	1.7744	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.464
N2	C1	H5	109.464	N2	C1	H6	109.464
H4	C1	H5	109.479	H4	C1	H6	109.479
H5	C1	H6	109.479

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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