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	hartrees
Energy at 0K	-132.506985
Energy at 298.15K	-132.509375
HF Energy	-131.942959
Nuclear repulsion energy	60.158907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3110	2959	13.30
2	A₁	2179	2073	83.11
3	A₁	1468	1397	4.16
4	A₁	980	932	15.69
5	E	3196	3041	1.63
5	E	3196	3041	1.63
6	E	1526	1452	11.44
6	E	1526	1452	11.44
7	E	1160	1103	0.11
7	E	1160	1103	0.11
8	E	271	258	0.03
8	E	271	258	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.106
N2	0.000	0.000	0.308
C3	0.000	0.000	1.479
H4	0.000	1.023	-1.465
H5	0.886	-0.511	-1.465
H6	-0.886	-0.511	-1.465

	C1	N2	C3	H4	H5	H6
C1		1.4144	2.5854	1.0840	1.0840	1.0840
N2	1.4144		1.1710	2.0471	2.0471	2.0471
C3	2.5854	1.1710		3.1169	3.1169	3.1169
H4	1.0840	2.0471	3.1169		1.7717	1.7717
H5	1.0840	2.0471	3.1169	1.7717		1.7717
H6	1.0840	2.0471	3.1169	1.7717	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.329
N2	C1	H5	109.329	N2	C1	H6	109.329
H4	C1	H5	109.613	H4	C1	H6	109.613
H5	C1	H6	109.613

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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