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	hartrees
Energy at 0K	-132.124569
Energy at 298.15K	-132.126988
HF Energy	-131.845806
Nuclear repulsion energy	58.504798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3057	2944	25.58
2	A₁	2036	1961	69.25
3	A₁	1499	1444	0.56
4	A₁	903	870	25.67
5	E	3172	3055	13.67
5	E	3172	3055	13.67
6	E	1539	1482	14.78
6	E	1539	1482	14.78
7	E	1180	1136	0.34
7	E	1180	1136	0.34
8	E	294	283	0.85
8	E	294	283	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.143
N2	0.000	0.000	0.315
C3	0.000	0.000	1.529
H4	0.000	1.038	-1.506
H5	0.899	-0.519	-1.506
H6	-0.899	-0.519	-1.506

	C1	N2	C3	H4	H5	H6
C1		1.4571	2.6712	1.1000	1.1000	1.1000
N2	1.4571		1.2141	2.0959	2.0959	2.0959
C3	2.6712	1.2141		3.2075	3.2075	3.2075
H4	1.1000	2.0959	3.2075		1.7981	1.7981
H5	1.1000	2.0959	3.2075	1.7981		1.7981
H6	1.1000	2.0959	3.2075	1.7981	1.7981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.303
N2	C1	H5	109.303	N2	C1	H6	109.303
H4	C1	H5	109.639	H4	C1	H6	109.639
H5	C1	H6	109.639

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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