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	hartrees
Energy at 0K	-132.272559
Energy at 298.15K	-132.274983
HF Energy	-131.893488
Nuclear repulsion energy	59.999928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	2928	18.69
2	A₁	2337	2163	142.79
3	A₁	1535	1421	5.58
4	A₁	1003	929	22.51
5	E	3250	3009	8.55
5	E	3250	3009	8.55
6	E	1570	1454	8.79
6	E	1570	1454	8.79
7	E	1202	1113	0.41
7	E	1202	1113	0.41
8	E	284	263	1.43
8	E	284	263	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.111
N2	0.000	0.000	0.313
C3	0.000	0.000	1.484
H4	0.000	1.026	-1.475
H5	0.888	-0.513	-1.475
H6	-0.888	-0.513	-1.475

	C1	N2	C3	H4	H5	H6
C1		1.4240	2.5954	1.0883	1.0882	1.0882
N2	1.4240		1.1714	2.0611	2.0611	2.0611
C3	2.5954	1.1714		3.1319	3.1319	3.1319
H4	1.0883	2.0611	3.1319		1.7765	1.7765
H5	1.0882	2.0611	3.1319	1.7765		1.7765
H6	1.0882	2.0611	3.1319	1.7765	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.530
N2	C1	H5	109.530	N2	C1	H6	109.530
H4	C1	H5	109.412	H4	C1	H6	109.412
H5	C1	H6	109.412

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

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

States and conformations

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