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	hartrees
Energy at 0K	-132.634121
Energy at 298.15K	-132.636687
HF Energy	-132.634121
Nuclear repulsion energy	61.231983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3161	3.30
2	A'	3127	3127	6.12
3	A'	2019	2019	264.44
4	A'	1520	1520	1.79
5	A'	1255	1255	12.75
6	A'	939	939	379.90
7	A'	761	761	84.12
8	A'	508	508	31.94
9	A"	3272	3272	1.19
10	A"	1166	1166	5.90
11	A"	986	986	11.64
12	A"	359	359	3.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.064	-1.171	0.000
N2	0.000	0.099	0.000
C3	-0.207	1.300	0.000
H4	0.090	-1.702	0.943
H5	0.090	-1.702	-0.943
H6	0.682	1.939	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2718	2.4866	1.0819	1.0819	3.1713
N2	1.2718		1.2194	2.0344	2.0344	1.9625
C3	2.4866	1.2194		3.1607	3.1607	1.0946
H4	1.0819	2.0344	3.1607		1.8854	3.8071
H5	1.0819	2.0344	3.1607	1.8854		3.8071
H6	3.1713	1.9625	1.0946	3.8071	3.8071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.076	N2	C1	H4	119.390
N2	C1	H5	119.390	N2	C3	H6	115.909
H4	C1	H5	121.219

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/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	-0.378
2	N	-0.149
3	C	-0.194
4	H	0.245
5	H	0.245
6	H	0.231

	x	y	z	Total
	1.496	-1.226	0.000	1.934
CHELPG
AIM
ESP

	x	y	z
x	2.706	-0.547	0.000
y	-0.547	9.037	0.000
z	0.000	0.000	2.750

<r²>	41.866
(<r²>)^1/2	6.470

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)