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	hartrees
Energy at 0K	-131.438411
Energy at 298.15K	-131.440810
HF Energy	-131.155277
Nuclear repulsion energy	58.880016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	2967	9.77
2	A₁	2068	1974	48.77
3	A₁	1518	1448	3.01
4	A₁	887	847	28.79
5	E	3191	3045	6.14
5	E	3191	3045	6.14
6	E	1594	1521	10.90
6	E	1594	1521	10.90
7	E	1195	1140	0.14
7	E	1195	1140	0.14
8	E	281	268	1.33
8	E	281	268	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.139
N2	0.000	0.000	0.318
C3	0.000	0.000	1.517
H4	0.000	1.031	-1.499
H5	0.893	-0.516	-1.499
H6	-0.893	-0.516	-1.499

	C1	N2	C3	H4	H5	H6
C1		1.4571	2.6562	1.0921	1.0921	1.0921
N2	1.4571		1.1991	2.0890	2.0890	2.0890
C3	2.6562	1.1991		3.1873	3.1873	3.1873
H4	1.0921	2.0890	3.1873		1.7860	1.7860
H5	1.0921	2.0890	3.1873	1.7860		1.7860
H6	1.0921	2.0890	3.1873	1.7860	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.229
N2	C1	H5	109.229	N2	C1	H6	109.229
H4	C1	H5	109.712	H4	C1	H6	109.712
H5	C1	H6	109.712

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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