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	hartrees
Energy at 0K	-132.332753
Energy at 298.15K	-132.335100
HF Energy	-131.891259
Nuclear repulsion energy	59.479048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3076	2960
2	A₁	2203	2120
3	A₁	1490	1434
4	A₁	966	930
5	E	3163	3043
5	E	3163	3043
6	E	1531	1473
6	E	1531	1473
7	E	1165	1121
7	E	1165	1121
8	E	261	252
8	E	261	251

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.120
N2	0.000	0.000	0.312
C3	0.000	0.000	1.499
H4	0.000	1.033	-1.485
H5	0.894	-0.516	-1.485
H6	-0.894	-0.516	-1.485

	C1	N2	C3	H4	H5	H6
C1		1.4318	2.6190	1.0952	1.0952	1.0952
N2	1.4318		1.1873	2.0723	2.0723	2.0723
C3	2.6190	1.1873		3.1576	3.1576	3.1576
H4	1.0952	2.0723	3.1576		1.7886	1.7886
H5	1.0952	2.0723	3.1576	1.7886		1.7886
H6	1.0952	2.0723	3.1576	1.7886	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.466
N2	C1	H5	109.466	N2	C1	H6	109.466
H4	C1	H5	109.477	H4	C1	H6	109.477
H5	C1	H6	109.477

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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