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	hartrees
Energy at 0K	-131.196420
Energy at 298.15K	-131.198890
HF Energy	-131.196420
Nuclear repulsion energy	60.820982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	3051	9.24
2	A'	3091	3035	0.13
3	A'	2071	2033	175.22
4	A'	1445	1419	10.79
5	A'	1216	1194	3.75
6	A'	796	782	335.21
7	A'	687	674	131.22
8	A'	493	484	25.52
9	A"	3207	3150	0.58
10	A"	1102	1082	0.92
11	A"	922	905	12.99
12	A"	375	368	5.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	-1.181	0.000
N2	0.000	0.100	0.000
C3	-0.251	1.289	0.000
H4	0.160	-1.725	0.944
H5	0.160	-1.725	-0.944
H6	0.489	2.100	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2863	2.4963	1.0910	1.0910	3.3021
N2	1.2863		1.2143	2.0615	2.0615	2.0588
C3	2.4963	1.2143		3.1847	3.1847	1.0982
H4	1.0910	2.0615	3.1847		1.8889	3.9539
H5	1.0910	2.0615	3.1847	1.8889		3.9539
H6	3.3021	2.0588	1.0982	3.9539	3.9539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.252	N2	C1	H4	120.037
N2	C1	H5	120.037	N2	C3	H6	125.749
H4	C1	H5	119.924

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: LSDA/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	-0.269
2	N	-0.421
3	C	-0.013
4	H	0.235
5	H	0.235
6	H	0.233

	x	y	z	Total
	1.352	-0.408	0.000	1.412
CHELPG
AIM
ESP

	x	y	z
x	1.795	-0.734	0.000
y	-0.734	8.171	0.000
z	0.000	0.000	2.306

<r²>	42.261
(<r²>)^1/2	6.501

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)