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	hartrees
Energy at 0K	-22.905268
Energy at 298.15K	-22.907735
HF Energy	-22.905268
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3171	2.41
2	A'	3115	3115	27.08
3	A'	1962	1962	209.10
4	A'	1513	1513	1.22
5	A'	1227	1227	16.59
6	A'	953	953	353.71
7	A'	771	771	101.34
8	A'	470	470	31.83
9	A"	3275	3275	14.38
10	A"	1155	1155	6.87
11	A"	975	975	13.80
12	A"	307	307	5.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.144	-1.181	0.000
N2	0.000	0.099	0.000
C3	-0.306	1.304	0.000
H4	0.207	-1.714	0.952
H5	0.207	-1.714	-0.952
H6	0.554	1.998	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2886	2.5262	1.0928	1.0928	3.2061
N2	1.2886		1.2434	2.0583	2.0583	1.9784
C3	2.5262	1.2434		3.2062	3.2062	1.1046
H4	1.0928	2.0583	3.2062		1.9044	3.8482
H5	1.0928	2.0583	3.2062	1.9044		3.8482
H6	3.2061	1.9784	1.1046	3.8482	3.8482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.206	N2	C1	H4	119.384
N2	C1	H5	119.384	N2	C3	H6	114.699
H4	C1	H5	121.231

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/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	-0.695
2	N	0.642
3	C	-0.605
4	H	0.228
5	H	0.228
6	H	0.201

	x	y	z	Total
	1.746	-1.271	0.000	2.159
CHELPG
AIM
ESP

	x	y	z
x	2.855	-1.178	0.000
y	-1.178	9.206	0.000
z	0.000	0.000	2.711

<r²>	36.128
(<r²>)^1/2	6.011

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/CEP-31G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)