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	hartrees
Energy at 0K	-132.336273
Energy at 298.15K	-132.338675
HF Energy	-131.897559
Nuclear repulsion energy	59.846482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3140	2944	20.18
2	A₁	2291	2148	119.29
3	A₁	1513	1419	8.41
4	A₁	993	931	20.42
5	E	3234	3032	9.24
5	E	3234	3032	9.24
6	E	1552	1455	7.09
6	E	1552	1455	7.09
7	E	1183	1109	0.72
7	E	1183	1109	0.72
8	E	276	259	1.04
8	E	276	259	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.114
N2	0.000	0.000	0.312
C3	0.000	0.000	1.490
H4	0.000	1.025	-1.478
H5	0.887	-0.512	-1.478
H6	-0.887	-0.512	-1.478

	C1	N2	C3	H4	H5	H6
C1		1.4261	2.6039	1.0875	1.0875	1.0875
N2	1.4261		1.1777	2.0627	2.0627	2.0627
C3	2.6039	1.1777		3.1398	3.1398	3.1398
H4	1.0875	2.0627	3.1398		1.7749	1.7749
H5	1.0875	2.0627	3.1398	1.7749		1.7749
H6	1.0875	2.0627	3.1398	1.7749	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.559
N2	C1	H5	109.559	N2	C1	H6	109.559
H4	C1	H5	109.383	H4	C1	H6	109.383
H5	C1	H6	109.383

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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