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	hartrees
Energy at 0K	-132.351875
Energy at 298.15K	-132.354235
HF Energy	-131.902608
Nuclear repulsion energy	59.544434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3111	2921
2	A₁	2189	2056
3	A₁	1487	1397
4	A₁	956	898
5	E	3207	3011
5	E	3207	3011
6	E	1531	1438
6	E	1531	1438
7	E	1165	1094
7	E	1165	1094
8	E	264	248
8	E	264	248

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.122
N2	0.000	0.000	0.312
C3	0.000	0.000	1.498
H4	0.000	1.028	-1.481
H5	0.890	-0.514	-1.481
H6	-0.890	-0.514	-1.481

	C1	N2	C3	H4	H5	H6
C1		1.4335	2.6198	1.0892	1.0892	1.0892
N2	1.4335		1.1863	2.0668	2.0668	2.0668
C3	2.6198	1.1863		3.1517	3.1517	3.1517
H4	1.0892	2.0668	3.1517		1.7810	1.7810
H5	1.0892	2.0668	3.1517	1.7810		1.7810
H6	1.0892	2.0668	3.1517	1.7810	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.266
N2	C1	H5	109.266	N2	C1	H6	109.266
H4	C1	H5	109.675	H4	C1	H6	109.675
H5	C1	H6	109.675

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31+G**

States and conformations

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