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	hartrees
Energy at 0K	-132.325343
Energy at 298.15K	-132.327713
HF Energy	-131.901954
Nuclear repulsion energy	59.412200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3115	2961	16.64
2	A₁	2154	2047	67.75
3	A₁	1456	1384	7.44
4	A₁	980	931	16.43
5	E	3226	3066	3.49
5	E	3226	3066	3.49
6	E	1496	1421	10.14
6	E	1496	1421	10.14
7	E	1149	1092	0.04
7	E	1149	1092	0.04
8	E	267	254	0.08
8	E	267	254	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.118
N2	0.000	0.000	0.308
C3	0.000	0.000	1.502
H4	0.000	1.035	-1.486
H5	0.896	-0.517	-1.486
H6	-0.896	-0.517	-1.486

	C1	N2	C3	H4	H5	H6
C1		1.4258	2.6196	1.0985	1.0985	1.0985
N2	1.4258		1.1938	2.0710	2.0710	2.0710
C3	2.6196	1.1938		3.1619	3.1619	3.1619
H4	1.0985	2.0710	3.1619		1.7927	1.7927
H5	1.0985	2.0710	3.1619	1.7927		1.7927
H6	1.0985	2.0710	3.1619	1.7927	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.574
N2	C1	H5	109.574	N2	C1	H6	109.574
H4	C1	H5	109.369	H4	C1	H6	109.369
H5	C1	H6	109.369

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

using model chemistry: MP2=FULL/cc-pVDZ

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-pVDZ

States and conformations

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