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	hartrees
Energy at 0K	-132.683122
Energy at 298.15K	-132.685576
HF Energy	-132.683122
Nuclear repulsion energy	60.773853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3067	3058	0.78
2	A'	3008	2999	10.74
3	A'	1947	1941	198.55
4	A'	1454	1449	3.94
5	A'	1187	1183	6.47
6	A'	901	899	319.83
7	A'	654	652	77.58
8	A'	472	471	21.26
9	A"	3165	3156	2.48
10	A"	1111	1107	5.50
11	A"	931	928	10.64
12	A"	346	345	3.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	-1.175	0.000
N2	0.000	0.102	0.000
C3	-0.317	1.283	0.000
H4	0.229	-1.706	0.945
H5	0.229	-1.706	-0.945
H6	0.469	2.048	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2876	2.5045	1.0862	1.0862	3.2374
N2	1.2876		1.2227	2.0533	2.0533	2.0015
C3	2.5045	1.2227		3.1822	3.1822	1.0972
H4	1.0862	2.0533	3.1822		1.8904	3.8787
H5	1.0862	2.0533	3.1822	1.8904		3.8787
H6	3.2374	2.0015	1.0972	3.8787	3.8787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.226	N2	C1	H4	119.523
N2	C1	H5	119.523	N2	C3	H6	119.155
H4	C1	H5	120.953

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: BLYP/cc-pVTZ

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	-0.191
2	N	0.066
3	C	-0.207
4	H	0.106
5	H	0.106
6	H	0.121

	x	y	z	Total
	1.306	-0.802	0.000	1.532
CHELPG
AIM
ESP

	x	y	z
x	3.430	-1.060	0.000
y	-1.060	9.417	0.000
z	0.000	0.000	3.288

<r²>	42.533
(<r²>)^1/2	6.522

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)