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	hartrees
Energy at 0K	-132.388490
Energy at 298.15K	-132.390865
HF Energy	-131.926079
Nuclear repulsion energy	59.754104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2940	19.28
2	A₁	2227	2125	134.02
3	A₁	1482	1414	7.38
4	A₁	973	928	18.25
5	E	3167	3022	8.70
5	E	3167	3022	8.70
6	E	1519	1449	8.99
6	E	1519	1449	8.99
7	E	1167	1114	0.64
7	E	1167	1114	0.64
8	E	266	254	0.65
8	E	266	254	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.116
N2	0.000	0.000	0.314
C3	0.000	0.000	1.490
H4	0.000	1.031	-1.480
H5	0.893	-0.515	-1.480
H6	-0.893	-0.515	-1.480

	C1	N2	C3	H4	H5	H6
C1		1.4300	2.6064	1.0927	1.0927	1.0927
N2	1.4300		1.1764	2.0683	2.0683	2.0683
C3	2.6064	1.1764		3.1434	3.1434	3.1434
H4	1.0927	2.0683	3.1434		1.7850	1.7850
H5	1.0927	2.0683	3.1434	1.7850		1.7850
H6	1.0927	2.0683	3.1434	1.7850	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.417
N2	C1	H5	109.417	N2	C1	H6	109.417
H4	C1	H5	109.525	H4	C1	H6	109.525
H5	C1	H6	109.525

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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