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	hartrees
Energy at 0K	-132.533279
Energy at 298.15K	-132.535804
HF Energy	-132.533279
Nuclear repulsion energy	61.227569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3032	0.77
2	A'	3112	2983	11.14
3	A'	2035	1951	238.61
4	A'	1506	1443	2.78
5	A'	1250	1199	10.44
6	A'	928	890	363.00
7	A'	713	684	90.48
8	A'	496	475	28.77
9	A"	3271	3135	3.10
10	A"	1154	1106	5.36
11	A"	973	932	11.32
12	A"	353	339	3.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.092	-1.170	0.000
N2	0.000	0.099	0.000
C3	-0.238	1.293	0.000
H4	0.130	-1.702	0.943
H5	0.130	-1.702	-0.943
H6	0.618	1.974	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2725	2.4848	1.0837	1.0837	3.1882
N2	1.2725		1.2171	2.0374	2.0374	1.9746
C3	2.4848	1.2171		3.1613	3.1613	1.0947
H4	1.0837	2.0374	3.1613		1.8867	3.8269
H5	1.0837	2.0374	3.1613	1.8867		3.8269
H6	3.1882	1.9746	1.0947	3.8269	3.8269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.858	N2	C1	H4	119.484
N2	C1	H5	119.484	N2	C3	H6	117.223
H4	C1	H5	121.032

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/6-311G*

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	-0.394
2	N	-0.118
3	C	-0.203
4	H	0.241
5	H	0.241
6	H	0.231

	x	y	z	Total
	1.469	-1.053	0.000	1.807
CHELPG
AIM
ESP

	x	y	z
x	2.746	-0.716	0.000
y	-0.716	9.003	0.000
z	0.000	0.000	2.775

<r²>	41.824
(<r²>)^1/2	6.467

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)