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	hartrees
Energy at 0K	-132.099782
Energy at 298.15K	-132.102209
Nuclear repulsion energy	59.441322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	2907	20.31
2	A₁	2252	2106	128.23
3	A₁	1540	1440	2.03
4	A₁	967	905	24.86
5	E	3190	2983	11.82
5	E	3190	2983	11.82
6	E	1572	1470	11.12
6	E	1572	1470	11.12
7	E	1207	1129	1.17
7	E	1207	1129	1.17
8	E	286	267	4.60
8	E	286	267	4.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.123
N2	0.000	0.000	0.316
C3	0.000	0.000	1.500
H4	0.000	1.030	-1.491
H5	0.892	-0.515	-1.491
H6	-0.892	-0.515	-1.491

	C1	N2	C3	H4	H5	H6
C1		1.4386	2.6225	1.0936	1.0936	1.0936
N2	1.4386		1.1839	2.0797	2.0797	2.0797
C3	2.6225	1.1839		3.1632	3.1632	3.1632
H4	1.0936	2.0797	3.1632		1.7834	1.7834
H5	1.0936	2.0797	3.1632	1.7834		1.7834
H6	1.0936	2.0797	3.1632	1.7834	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.686
N2	C1	H5	109.686	N2	C1	H6	109.686
H4	C1	H5	109.256	H4	C1	H6	109.256
H5	C1	H6	109.256

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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