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	hartrees
Energy at 0K	-130.420952
Energy at 298.15K	-130.423307
HF Energy	-130.225785
Nuclear repulsion energy	57.966801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3366	2992	0.86
2	A₁	2173	1932	55.99
3	A₁	1590	1414	10.21
4	A₁	992	881	13.98
5	E	3546	3152	0.52
5	E	3546	3152	0.52
6	E	1675	1489	5.70
6	E	1675	1489	5.70
7	E	1227	1091	1.12
7	E	1227	1091	1.12
8	E	304	270	0.11
8	E	304	270	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.155
N2	0.000	0.000	0.321
C3	0.000	0.000	1.542
H4	0.000	1.046	-1.523
H5	0.905	-0.523	-1.523
H6	-0.905	-0.523	-1.523

	C1	N2	C3	H4	H5	H6
C1		1.4768	2.6977	1.1084	1.1084	1.1084
N2	1.4768		1.2209	2.1204	2.1204	2.1204
C3	2.6977	1.2209		3.2391	3.2391	3.2391
H4	1.1084	2.1204	3.2391		1.8109	1.8109
H5	1.1084	2.1204	3.2391	1.8109		1.8109
H6	1.1084	2.1204	3.2391	1.8109	1.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.388
N2	C1	H5	109.388	N2	C1	H6	109.388
H4	C1	H5	109.554	H4	C1	H6	109.554
H5	C1	H6	109.554

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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