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	hartrees
Energy at 0K	-132.608743
Energy at 298.15K	-132.611246
HF Energy	-132.433795
Nuclear repulsion energy	61.184801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3173	3.01
2	A'	3137	3137	2.55
3	A'	2006	2006	278.15
4	A'	1505	1505	4.57
5	A'	1221	1221	7.59
6	A'	885	885	423.20
7	A'	694	694	89.16
8	A'	489	489	33.16
9	A"	3285	3285	0.77
10	A"	1150	1150	6.60
11	A"	964	964	10.27
12	A"	357	357	4.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.127	-1.173	0.000
N2	0.000	0.101	0.000
C3	-0.273	1.284	0.000
H4	0.174	-1.697	0.941
H5	0.174	-1.697	-0.941
H6	0.526	2.022	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2807	2.4890	1.0780	1.0780	3.2200
N2	1.2807		1.2134	2.0372	2.0372	1.9915
C3	2.4890	1.2134		3.1576	3.1576	1.0876
H4	1.0780	2.0372	3.1576		1.8817	3.8526
H5	1.0780	2.0372	3.1576	1.8817		3.8526
H6	3.2200	1.9915	1.0876	3.8526	3.8526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.704	N2	C1	H4	119.223
N2	C1	H5	119.223	N2	C3	H6	119.783
H4	C1	H5	121.552

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/Def2TZVPP

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	-0.158
2	N	0.006
3	C	-0.190
4	H	0.107
5	H	0.107
6	H	0.128

	x	y	z	Total
	1.341	-0.810	0.000	1.566
CHELPG
AIM
ESP

	x	y	z
x	3.630	-1.076	0.000
y	-1.076	9.806	0.000
z	0.000	0.000	3.326

<r²>	42.166
(<r²>)^1/2	6.494

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)