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	hartrees
Energy at 0K	-132.316343
Energy at 298.15K	-132.318730
HF Energy	-131.896000
Nuclear repulsion energy	59.664034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	2950	16.23
2	A₁	2176	2038	69.71
3	A₁	1504	1409	6.28
4	A₁	981	919	19.21
5	E	3256	3049	5.54
5	E	3256	3049	5.54
6	E	1550	1452	8.14
6	E	1550	1452	8.14
7	E	1179	1104	0.32
7	E	1179	1104	0.32
8	E	272	254	0.53
8	E	272	254	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.116
N2	0.000	0.000	0.308
C3	0.000	0.000	1.497
H4	0.000	1.024	-1.479
H5	0.887	-0.512	-1.479
H6	-0.887	-0.512	-1.479

	C1	N2	C3	H4	H5	H6
C1		1.4239	2.6134	1.0868	1.0868	1.0868
N2	1.4239		1.1895	2.0596	2.0596	2.0596
C3	2.6134	1.1895		3.1476	3.1476	3.1476
H4	1.0868	2.0596	3.1476		1.7744	1.7744
H5	1.0868	2.0596	3.1476	1.7744		1.7744
H6	1.0868	2.0596	3.1476	1.7744	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.505
N2	C1	H5	109.505	N2	C1	H6	109.505
H4	C1	H5	109.438	H4	C1	H6	109.438
H5	C1	H6	109.438

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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