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	hartrees
Energy at 0K	-22.777205
Energy at 298.15K	-22.779603
HF Energy	-22.370628
Nuclear repulsion energy	31.970218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3100	2954	20.02
2	A₁	2122	2022	86.92
3	A₁	1488	1418	4.98
4	A₁	949	904	22.48
5	E	3212	3061	7.10
5	E	3212	3061	7.10
6	E	1528	1456	10.46
6	E	1528	1456	10.46
7	E	1164	1109	0.46
7	E	1164	1109	0.46
8	E	280	267	0.44
8	E	280	267	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.128
N2	0.000	0.000	0.312
C3	0.000	0.000	1.506
H4	0.000	1.032	-1.484
H5	0.894	-0.516	-1.484
H6	-0.894	-0.516	-1.484

	C1	N2	C3	H4	H5	H6
C1		1.4397	2.6345	1.0915	1.0915	1.0915
N2	1.4397		1.1948	2.0706	2.0706	2.0706
C3	2.6345	1.1948		3.1630	3.1630	3.1630
H4	1.0915	2.0706	3.1630		1.7875	1.7875
H5	1.0915	2.0706	3.1630	1.7875		1.7875
H6	1.0915	2.0706	3.1630	1.7875	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.001
N2	C1	H5	109.001	N2	C1	H6	109.001
H4	C1	H5	109.937	H4	C1	H6	109.937
H5	C1	H6	109.937

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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