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	hartrees
Energy at 0K	-132.305789
Energy at 298.15K	-132.308187
HF Energy	-131.891454
Nuclear repulsion energy	59.662007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	2948	13.31
2	A₁	2184	2058	67.78
3	A₁	1511	1424	3.22
4	A₁	981	925	19.66
5	E	3229	3043	4.26
5	E	3229	3043	4.26
6	E	1552	1463	9.77
6	E	1552	1463	9.77
7	E	1183	1115	0.08
7	E	1183	1115	0.08
8	E	278	262	0.54
8	E	278	262	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.114
N2	0.000	0.000	0.309
C3	0.000	0.000	1.493
H4	0.000	1.029	-1.477
H5	0.891	-0.514	-1.477
H6	-0.891	-0.514	-1.477

	C1	N2	C3	H4	H5	H6
C1		1.4224	2.6065	1.0908	1.0908	1.0908
N2	1.4224		1.1841	2.0607	2.0607	2.0607
C3	2.6065	1.1841		3.1429	3.1429	3.1429
H4	1.0908	2.0607	3.1429		1.7815	1.7815
H5	1.0908	2.0607	3.1429	1.7815		1.7815
H6	1.0908	2.0607	3.1429	1.7815	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.453
N2	C1	H5	109.453	N2	C1	H6	109.453
H4	C1	H5	109.489	H4	C1	H6	109.489
H5	C1	H6	109.489

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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