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	hartrees
Energy at 0K	-131.853658
Energy at 298.15K	-131.856098
HF Energy	-131.853658
Nuclear repulsion energy	60.410716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3109	3109	0.73
2	A'	3009	3009	22.99
3	A'	1954	1954	133.47
4	A'	1475	1475	4.60
5	A'	1173	1173	4.16
6	A'	873	873	338.27
7	A'	681	681	117.99
8	A'	467	467	16.03
9	A"	3210	3210	7.85
10	A"	1130	1130	3.70
11	A"	943	943	9.45
12	A"	342	342	6.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.242	-1.170	0.000
N2	0.000	0.103	0.000
C3	-0.405	1.266	0.000
H4	0.338	-1.703	0.942
H5	0.338	-1.703	-0.942
H6	0.302	2.109	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2952	2.5198	1.0868	1.0868	3.2795
N2	1.2952		1.2314	2.0645	2.0645	2.0292
C3	2.5198	1.2314		3.2019	3.2019	1.1011
H4	1.0868	2.0645	3.2019		1.8842	3.9271
H5	1.0868	2.0645	3.2019	1.8842		3.9271
H6	3.2795	2.0292	1.1011	3.9271	3.9271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.566	N2	C1	H4	119.905
N2	C1	H5	119.905	N2	C3	H6	120.803
H4	C1	H5	120.187

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B97D3/3-21G*

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	-0.198
2	N	-0.483
3	C	0.022
4	H	0.222
5	H	0.222
6	H	0.215

	x	y	z	Total
	1.431	-0.537	0.000	1.528
CHELPG
AIM
ESP

	x	y	z
x	2.096	-1.364	0.000
y	-1.364	8.061	0.000
z	0.000	0.000	2.319

<r²>	42.607
(<r²>)^1/2	6.527

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B97D3/3-21G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)