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	hartrees
Energy at 0K	-132.570581
Energy at 298.15K	-132.573145
HF Energy	-132.570581
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3207	1.54
2	A'	3164	3164	9.90
3	A'	2039	2039	222.90
4	A'	1544	1544	4.70
5	A'	1246	1246	8.02
6	A'	896	896	461.72
7	A'	812	812	112.46
8	A'	494	494	27.03
9	A"	3322	3322	6.75
10	A"	1191	1191	6.49
11	A"	981	981	10.57
12	A"	361	361	8.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.150	-1.175	0.000
N2	0.000	0.098	0.000
C3	-0.300	1.287	0.000
H4	0.211	-1.709	0.939
H5	0.211	-1.709	-0.939
H6	0.474	2.059	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2825	2.5036	1.0817	1.0817	3.2505
N2	1.2825		1.2264	2.0474	2.0474	2.0173
C3	2.5036	1.2264		3.1812	3.1812	1.0931
H4	1.0817	2.0474	3.1812		1.8781	3.8920
H5	1.0817	2.0474	3.1812	1.8781		3.8920
H6	3.2505	2.0173	1.0931	3.8920	3.8920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.582	N2	C1	H4	119.758
N2	C1	H5	119.758	N2	C3	H6	120.749
H4	C1	H5	120.484

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/6-31G

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	-0.209
2	N	-0.275
3	C	-0.065
4	H	0.188
5	H	0.188
6	H	0.174

	x	y	z	Total
	1.574	-0.721	0.000	1.731
CHELPG
AIM
ESP

	x	y	z
x	2.170	-1.046	0.000
y	-1.046	8.826	0.000
z	0.000	0.000	2.456

<r²>	42.215
(<r²>)^1/2	6.497

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)