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	hartrees
Energy at 0K	-132.397191
Energy at 298.15K	-132.399586
HF Energy	-131.920983
Nuclear repulsion energy	59.789315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3113	2948	13.95
2	A₁	2166	2052	72.51
3	A₁	1494	1415	1.84
4	A₁	977	925	19.22
5	E	3214	3044	4.33
5	E	3214	3044	4.33
6	E	1534	1453	12.76
6	E	1534	1453	12.76
7	E	1172	1110	0.01
7	E	1172	1110	0.01
8	E	276	261	0.25
8	E	276	261	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.114
N2	0.000	0.000	0.309
C3	0.000	0.000	1.491
H4	0.000	1.027	-1.476
H5	0.890	-0.514	-1.476
H6	-0.890	-0.514	-1.476

	C1	N2	C3	H4	H5	H6
C1		1.4236	2.6058	1.0891	1.0891	1.0891
N2	1.4236		1.1822	2.0596	2.0596	2.0596
C3	2.6058	1.1822		3.1402	3.1402	3.1402
H4	1.0891	2.0596	3.1402		1.7795	1.7795
H5	1.0891	2.0596	3.1402	1.7795		1.7795
H6	1.0891	2.0596	3.1402	1.7795	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.388
N2	C1	H5	109.388	N2	C1	H6	109.388
H4	C1	H5	109.554	H4	C1	H6	109.554
H5	C1	H6	109.554

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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