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	hartrees
Energy at 0K	-132.488644
Energy at 298.15K	-132.491063
HF Energy	-131.941227
Nuclear repulsion energy	60.161551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	2965	12.44
2	A₁	2184	2074	74.63
3	A₁	1473	1399	4.29
4	A₁	979	929	15.75
5	E	3205	3043	2.31
5	E	3205	3043	2.31
6	E	1526	1449	10.57
6	E	1526	1449	10.57
7	E	1162	1103	0.03
7	E	1162	1103	0.03
8	E	283	268	0.02
8	E	283	268	0.02

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	1.480
H4	0.000	1.021	-1.466
H5	0.884	-0.510	-1.466
H6	-0.884	-0.510	-1.466

	C1	N2	C3	H4	H5	H6
C1		1.4143	2.5861	1.0823	1.0823	1.0823
N2	1.4143		1.1718	2.0467	2.0467	2.0467
C3	2.5861	1.1718		3.1177	3.1177	3.1177
H4	1.0823	2.0467	3.1177		1.7679	1.7679
H5	1.0823	2.0467	3.1177	1.7679		1.7679
H6	1.0823	2.0467	3.1177	1.7679	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.420
N2	C1	H5	109.420	N2	C1	H6	109.420
H4	C1	H5	109.523	H4	C1	H6	109.523
H5	C1	H6	109.523

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

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

States and conformations

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