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	hartrees
Energy at 0K	-132.342165
Energy at 298.15K	-132.344539
HF Energy	-131.896935
Nuclear repulsion energy	59.700151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	2946	20.79
2	A₁	2241	2110	123.86
3	A₁	1507	1418	8.50
4	A₁	979	922	18.76
5	E	3221	3033	10.30
5	E	3221	3033	10.30
6	E	1549	1458	6.83
6	E	1549	1458	6.83
7	E	1178	1109	0.81
7	E	1178	1109	0.81
8	E	267	251	1.18
8	E	267	251	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.117
N2	0.000	0.000	0.312
C3	0.000	0.000	1.494
H4	0.000	1.025	-1.481
H5	0.888	-0.513	-1.481
H6	-0.888	-0.513	-1.481

	C1	N2	C3	H4	H5	H6
C1		1.4288	2.6114	1.0880	1.0880	1.0880
N2	1.4288		1.1826	2.0652	2.0652	2.0652
C3	2.6114	1.1826		3.1469	3.1469	3.1469
H4	1.0880	2.0652	3.1469		1.7761	1.7761
H5	1.0880	2.0652	3.1469	1.7761		1.7761
H6	1.0880	2.0652	3.1469	1.7761	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.533
N2	C1	H5	109.533	N2	C1	H6	109.533
H4	C1	H5	109.409	H4	C1	H6	109.409
H5	C1	H6	109.409

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

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

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