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	hartrees
Energy at 0K	-132.118167
Energy at 298.15K	-132.120504
HF Energy	-131.828799
Nuclear repulsion energy	58.862286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	2938	15.37
2	A₁	2069	1966	60.60
3	A₁	1522	1446	1.58
4	A₁	922	876	24.47
5	E	3187	3028	8.35
5	E	3187	3028	8.35
6	E	1563	1485	11.40
6	E	1563	1485	11.40
7	E	1192	1132	0.67
7	E	1192	1132	0.67
8	E	256	243	2.29
8	E	256	243	2.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
N2	0.000	0.000	0.314
C3	0.000	0.000	1.519
H4	0.000	1.032	-1.500
H5	0.894	-0.516	-1.500
H6	-0.894	-0.516	-1.500

	C1	N2	C3	H4	H5	H6
C1		1.4483	2.6537	1.0949	1.0949	1.0949
N2	1.4483		1.2054	2.0866	2.0866	2.0866
C3	2.6537	1.2054		3.1904	3.1904	3.1904
H4	1.0949	2.0866	3.1904		1.7879	1.7879
H5	1.0949	2.0866	3.1904	1.7879		1.7879
H6	1.0949	2.0866	3.1904	1.7879	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.479
N2	C1	H5	109.479	N2	C1	H6	109.479
H4	C1	H5	109.463	H4	C1	H6	109.463
H5	C1	H6	109.463

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)