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	hartrees
Energy at 0K	-132.340956
Energy at 298.15K	-132.343304
HF Energy	-131.908019
Nuclear repulsion energy	59.309097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	2971	16.58
2	A₁	2124	2037	86.33
3	A₁	1444	1385	6.03
4	A₁	959	920	16.29
5	E	3202	3071	3.10
5	E	3202	3071	3.10
6	E	1489	1428	10.41
6	E	1489	1428	10.41
7	E	1146	1099	0.32
7	E	1146	1099	0.32
8	E	259	249	0.18
8	E	259	249	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.123
N2	0.000	0.000	0.310
C3	0.000	0.000	1.504
H4	0.000	1.036	-1.485
H5	0.898	-0.518	-1.485
H6	-0.898	-0.518	-1.485

	C1	N2	C3	H4	H5	H6
C1		1.4329	2.6269	1.0979	1.0979	1.0979
N2	1.4329		1.1940	2.0728	2.0728	2.0728
C3	2.6269	1.1940		3.1637	3.1637	3.1637
H4	1.0979	2.0728	3.1637		1.7952	1.7952
H5	1.0979	2.0728	3.1637	1.7952		1.7952
H6	1.0979	2.0728	3.1637	1.7952	1.7952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.261
N2	C1	H5	109.261	N2	C1	H6	109.261
H4	C1	H5	109.680	H4	C1	H6	109.680
H5	C1	H6	109.680

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

using model chemistry: MP2/aug-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/aug-cc-pVDZ

States and conformations

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