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	hartrees
Energy at 0K	-132.388412
Energy at 298.15K	-132.390758
HF Energy	-131.925139
Nuclear repulsion energy	59.575965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3064	3064
2	A₁	2177	2177
3	A₁	1468	1468
4	A₁	960	960
5	E	3151	3151
5	E	3151	3151
6	E	1508	1508
6	E	1508	1508
7	E	1156	1156
7	E	1156	1156
8	E	258	258
8	E	258	258

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.119
N2	0.000	0.000	0.313
C3	0.000	0.000	1.496
H4	0.000	1.032	-1.482
H5	0.894	-0.516	-1.482
H6	-0.894	-0.516	-1.482

	C1	N2	C3	H4	H5	H6
C1		1.4324	2.6150	1.0941	1.0941	1.0941
N2	1.4324		1.1826	2.0709	2.0709	2.0709
C3	2.6150	1.1826		3.1517	3.1517	3.1517
H4	1.0941	2.0709	3.1517		1.7878	1.7878
H5	1.0941	2.0709	3.1517	1.7878		1.7878
H6	1.0941	2.0709	3.1517	1.7878	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.369
N2	C1	H5	109.369	N2	C1	H6	109.369
H4	C1	H5	109.573	H4	C1	H6	109.573
H5	C1	H6	109.573

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

using model chemistry: QCISD(T)/6-311G**

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)/6-311G**

States and conformations

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