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	hartrees
Energy at 0K	-132.340705
Energy at 298.15K	-132.343128
HF Energy	-131.902755
Nuclear repulsion energy	59.739446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	2959	17.97
2	A₁	2177	2045	83.90
3	A₁	1499	1408	4.43
4	A₁	972	913	19.58
5	E	3259	3061	3.42
5	E	3259	3061	3.42
6	E	1543	1449	10.75
6	E	1543	1449	10.75
7	E	1177	1105	0.70
7	E	1177	1105	0.70
8	E	286	269	0.70
8	E	286	269	0.70

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	1.494
H4	0.000	1.025	-1.475
H5	0.887	-0.512	-1.475
H6	-0.887	-0.512	-1.475

	C1	N2	C3	H4	H5	H6
C1		1.4244	2.6108	1.0856	1.0856	1.0856
N2	1.4244		1.1864	2.0563	2.0563	2.0563
C3	2.6108	1.1864		3.1410	3.1410	3.1410
H4	1.0856	2.0563	3.1410		1.7749	1.7749
H5	1.0856	2.0563	3.1410	1.7749		1.7749
H6	1.0856	2.0563	3.1410	1.7749	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.277
N2	C1	H5	109.277	N2	C1	H6	109.277
H4	C1	H5	109.665	H4	C1	H6	109.665
H5	C1	H6	109.665

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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