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	hartrees
Energy at 0K	-131.817576
Energy at 298.15K	-131.820202
HF Energy	-131.817576
Nuclear repulsion energy	61.588876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	2984	0.82
2	A'	3210	2884	56.93
3	A'	2064	1854	138.34
4	A'	1669	1499	0.21
5	A'	1301	1169	14.12
6	A'	1122	1008	303.21
7	A'	1002	900	56.37
8	A'	514	462	25.09
9	A"	3422	3075	14.76
10	A"	1278	1148	14.06
11	A"	1076	967	7.44
12	A"	303	272	6.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.036	-1.157	0.000
N2	0.000	0.090	0.000
C3	-0.094	1.318	0.000
H4	-0.049	-1.697	0.930
H5	-0.049	-1.697	-0.930
H6	0.882	1.800	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2472	2.4755	1.0751	1.0751	3.0964
N2	1.2472		1.2318	2.0145	2.0145	1.9245
C3	2.4755	1.2318		3.1551	3.1551	1.0891
H4	1.0751	2.0145	3.1551		1.8594	3.7362
H5	1.0751	2.0145	3.1551	1.8594		3.7362
H6	3.0964	1.9245	1.0891	3.7362	3.7362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.936	N2	C1	H4	120.147
N2	C1	H5	120.147	N2	C3	H6	111.887
H4	C1	H5	119.705

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HF/6-31G*

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	-0.216
2	N	-0.246
3	C	-0.107
4	H	0.199
5	H	0.199
6	H	0.171

	x	y	z	Total
	1.477	-1.930	0.000	2.431
CHELPG
AIM
ESP

	x	y	z
x	2.230	0.299	0.000
y	0.299	8.516	0.000
z	0.000	0.000	2.586

<r²>	41.418
(<r²>)^1/2	6.436

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)