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	hartrees
Energy at 0K	-132.689217
Energy at 298.15K	-132.691712
HF Energy	-132.689217
Nuclear repulsion energy	60.836361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3049	1.61
2	A'	3083	2992	4.99
3	A'	1988	1930	243.32
4	A'	1487	1443	3.72
5	A'	1227	1191	8.03
6	A'	911	884	355.08
7	A'	735	713	78.30
8	A'	476	462	30.17
9	A"	3256	3160	1.29
10	A"	1133	1099	7.82
11	A"	951	923	10.68
12	A"	334	324	4.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.135	-1.174	0.000
N2	0.000	0.100	0.000
C3	-0.288	1.290	0.000
H4	0.191	-1.707	0.948
H5	0.191	-1.707	-0.948
H6	0.537	2.019	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2815	2.5006	1.0889	1.0889	3.2185
N2	1.2815		1.2246	2.0494	2.0494	1.9928
C3	2.5006	1.2246		3.1797	3.1797	1.1013
H4	1.0889	2.0494	3.1797		1.8962	3.8601
H5	1.0889	2.0494	3.1797	1.8962		3.8601
H6	3.2185	1.9928	1.1013	3.8601	3.8601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.436	N2	C1	H4	119.454
N2	C1	H5	119.454	N2	C3	H6	117.814
H4	C1	H5	121.092

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.794
2	N	0.181
3	C	0.074
4	H	-0.365
5	H	-0.365
6	H	-0.318

	x	y	z	Total
	1.402	-1.013	0.000	1.730
CHELPG
AIM
ESP

	x	y	z
x	4.265	-1.113	0.000
y	-1.113	10.195	0.000
z	0.000	0.000	3.844

<r²>	42.566
(<r²>)^1/2	6.524

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)