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	hartrees
Energy at 0K	-132.351943
Energy at 298.15K	-132.354332
HF Energy	-131.903454
Nuclear repulsion energy	59.710435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	2957	22.81
2	A₁	2236	2114	146.30
3	A₁	1500	1418	6.92
4	A₁	970	917	19.50
5	E	3221	3045	7.50
5	E	3221	3045	7.50
6	E	1540	1456	8.93
6	E	1540	1456	8.93
7	E	1175	1111	1.41
7	E	1175	1111	1.41
8	E	273	258	1.43
8	E	273	258	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.118
N2	0.000	0.000	0.312
C3	0.000	0.000	1.493
H4	0.000	1.027	-1.478
H5	0.889	-0.513	-1.478
H6	-0.889	-0.513	-1.478

	C1	N2	C3	H4	H5	H6
C1		1.4309	2.6116	1.0880	1.0880	1.0880
N2	1.4309		1.1807	2.0644	2.0644	2.0644
C3	2.6116	1.1807		3.1440	3.1440	3.1440
H4	1.0880	2.0644	3.1440		1.7783	1.7783
H5	1.0880	2.0644	3.1440	1.7783		1.7783
H6	1.0880	2.0644	3.1440	1.7783	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.323
N2	C1	H5	109.323	N2	C1	H6	109.323
H4	C1	H5	109.619	H4	C1	H6	109.619
H5	C1	H6	109.619

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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