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	hartrees
Energy at 0K	-132.625944
Energy at 298.15K	-132.628491
HF Energy	-132.625944
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3174	1.36
2	A'	3115	3115	11.25
3	A'	2033	2033	211.10
4	A'	1528	1528	1.41
5	A'	1249	1249	10.21
6	A'	937	937	349.20
7	A'	765	765	66.64
8	A'	495	495	29.49
9	A"	3286	3286	2.36
10	A"	1170	1170	6.79
11	A"	990	990	9.27
12	A"	346	346	2.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.091	-1.168	0.000
N2	0.000	0.098	0.000
C3	-0.240	1.293	0.000
H4	0.133	-1.698	0.943
H5	0.133	-1.698	-0.943
H6	0.631	1.957	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2686	2.4833	1.0828	1.0828	3.1714
N2	1.2686		1.2198	2.0326	2.0326	1.9639
C3	2.4833	1.2198		3.1587	3.1587	1.0958
H4	1.0828	2.0326	3.1587		1.8863	3.8078
H5	1.0828	2.0326	3.1587	1.8863		3.8078
H6	3.1714	1.9639	1.0958	3.8078	3.8078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.747	N2	C1	H4	119.422
N2	C1	H5	119.422	N2	C3	H6	115.920
H4	C1	H5	121.156

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.331
2	N	0.138
3	C	-0.304
4	H	0.163
5	H	0.163
6	H	0.173

	x	y	z	Total
	1.378	-1.166	0.000	1.805
CHELPG
AIM
ESP

	x	y	z
x	2.650	-0.527	0.000
y	-0.527	8.799	0.000
z	0.000	0.000	2.920

<r²>	41.535
(<r²>)^1/2	6.445

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)