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	hartrees
Energy at 0K	-132.318136
Energy at 298.15K	-132.320498
HF Energy	-131.901783
Nuclear repulsion energy	59.362132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3109	2962	16.72
2	A₁	2149	2047	68.09
3	A₁	1454	1385	7.65
4	A₁	977	931	16.72
5	E	3219	3066	3.61
5	E	3219	3066	3.61
6	E	1493	1422	10.01
6	E	1493	1422	10.01
7	E	1147	1093	0.05
7	E	1147	1093	0.05
8	E	264	252	0.08
8	E	264	252	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.119
N2	0.000	0.000	0.308
C3	0.000	0.000	1.503
H4	0.000	1.036	-1.487
H5	0.897	-0.518	-1.487
H6	-0.897	-0.518	-1.487

	C1	N2	C3	H4	H5	H6
C1		1.4274	2.6219	1.0995	1.0995	1.0995
N2	1.4274		1.1945	2.0728	2.0728	2.0728
C3	2.6219	1.1945		3.1642	3.1642	3.1642
H4	1.0995	2.0728	3.1642		1.7946	1.7946
H5	1.0995	2.0728	3.1642	1.7946		1.7946
H6	1.0995	2.0728	3.1642	1.7946	1.7946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.548
N2	C1	H5	109.548	N2	C1	H6	109.548
H4	C1	H5	109.394	H4	C1	H6	109.394
H5	C1	H6	109.394

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

using model chemistry: MP2/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/cc-pVDZ

States and conformations

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