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	hartrees
Energy at 0K	-22.904372
Energy at 298.15K	-22.906801
HF Energy	-22.904372
Nuclear repulsion energy	32.197001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3034	0.66
2	A'	3050	2946	29.82
3	A'	1934	1868	175.12
4	A'	1488	1437	2.23
5	A'	1208	1167	12.84
6	A'	955	922	326.78
7	A'	724	699	111.30
8	A'	461	445	24.27
9	A"	3244	3133	10.39
10	A"	1135	1096	5.79
11	A"	954	921	13.27
12	A"	305	294	5.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.206	-1.177	0.000
N2	0.000	0.101	0.000
C3	-0.376	1.289	0.000
H4	0.292	-1.709	0.953
H5	0.292	-1.709	-0.953
H6	0.438	2.043	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2944	2.5340	1.0949	1.0949	3.2280
N2	1.2944		1.2464	2.0664	2.0664	1.9905
C3	2.5340	1.2464		3.2164	3.2164	1.1091
H4	1.0949	2.0664	3.2164		1.9058	3.8739
H5	1.0949	2.0664	3.2164	1.9058		3.8739
H6	3.2280	1.9905	1.1091	3.8739	3.8739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.590	N2	C1	H4	119.503
N2	C1	H5	119.503	N2	C3	H6	115.231
H4	C1	H5	120.994

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/CEP-31G*

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	-0.709
2	N	0.635
3	C	-0.596
4	H	0.233
5	H	0.233
6	H	0.204

	x	y	z	Total
	1.709	-1.084	0.000	2.024
CHELPG
AIM
ESP

	x	y	z
x	2.998	-1.475	0.000
y	-1.475	9.033	0.000
z	0.000	0.000	2.695

<r²>	36.386
(<r²>)^1/2	6.032

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)