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	hartrees
Energy at 0K	-132.359715
Energy at 298.15K	-132.362119
HF Energy	-131.922199
Nuclear repulsion energy	59.901928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	2941	17.43
2	A₁	2275	2172	125.85
3	A₁	1493	1426	3.03
4	A₁	986	942	20.64
5	E	3169	3026	7.33
5	E	3169	3026	7.33
6	E	1524	1456	11.52
6	E	1524	1456	11.52
7	E	1169	1117	0.14
7	E	1169	1117	0.14
8	E	278	266	0.65
8	E	278	266	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.113
N2	0.000	0.000	0.314
C3	0.000	0.000	1.485
H4	0.000	1.030	-1.477
H5	0.892	-0.515	-1.477
H6	-0.892	-0.515	-1.477

	C1	N2	C3	H4	H5	H6
C1		1.4272	2.5987	1.0923	1.0923	1.0923
N2	1.4272		1.1715	2.0657	2.0657	2.0657
C3	2.5987	1.1715		3.1361	3.1361	3.1361
H4	1.0923	2.0657	3.1361		1.7841	1.7841
H5	1.0923	2.0657	3.1361	1.7841		1.7841
H6	1.0923	2.0657	3.1361	1.7841	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.434
N2	C1	H5	109.434	N2	C1	H6	109.434
H4	C1	H5	109.509	H4	C1	H6	109.509
H5	C1	H6	109.509

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

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

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