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	hartrees
Energy at 0K	-130.921302
Energy at 298.15K	-130.923493
HF Energy	-130.921302
Nuclear repulsion energy	59.032354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3295	46.06
2	A'	3123	3123	4.28
3	A'	1995	1995	19.06
4	A'	1544	1544	0.39
5	A'	1193	1193	2.09
6	A'	1001	1001	190.64
7	A'	626	626	54.79
8	A'	427	427	5.76
9	A"	3466	3466	0.29
10	A"	1150	1150	7.77
11	A"	966	966	1.24
12	A"	309	309	5.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.650	-1.028	0.000
N2	0.000	0.122	0.000
C3	-0.888	1.036	0.000
H4	0.940	-1.492	0.958
H5	0.940	-1.492	-0.958
H6	-0.447	2.082	0.000

	C1	N2	C3	H4	H5	H6
C1		1.3211	2.5748	1.1034	1.1034	3.2977
N2	1.3211		1.2750	2.0990	2.0990	2.0100
C3	2.5748	1.2750		3.2639	3.2639	1.1343
H4	1.1034	2.0990	3.2639		1.9169	3.9511
H5	1.1034	2.0990	3.2639	1.9169		3.9511
H6	3.2977	2.0100	1.1343	3.9511	3.9511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	165.288	N2	C1	H4	119.668
N2	C1	H5	119.668	N2	C3	H6	112.950
H4	C1	H5	120.597

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B97D3/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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Number	Element	Mulliken
1	C	-0.085
2	N	-0.167
3	C	-0.015
4	H	0.094
5	H	0.094
6	H	0.080

	x	y	z	Total
	1.281	-0.123	0.000	1.287
CHELPG
AIM
ESP

	x	y	z
x	2.302	-2.217	0.000
y	-2.217	4.401	0.000
z	0.000	0.000	1.341

<r²>	43.069
(<r²>)^1/2	6.563

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)