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	hartrees
Energy at 0K	-131.846424
Energy at 298.15K	-131.849050
HF Energy	-131.846424
Nuclear repulsion energy	61.655156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	2972	1.54
2	A'	3193	2888	43.69
3	A'	2037	1842	161.16
4	A'	1655	1497	0.04
5	A'	1290	1167	16.22
6	A'	1118	1011	306.19
7	A'	989	894	58.53
8	A'	511	462	27.19
9	A"	3390	3066	14.08
10	A"	1275	1153	13.72
11	A"	1072	970	10.05
12	A"	302	273	5.51

Atom	x (Å)	y (Å)	z (Å)
C1	-0.065	-1.154	0.000
N2	0.000	0.090	0.000
C3	-0.060	1.318	0.000
H4	-0.091	-1.693	0.931
H5	-0.091	-1.693	-0.931
H6	0.931	1.770	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2465	2.4724	1.0756	1.0756	3.0896
N2	1.2465		1.2291	2.0136	2.0136	1.9207
C3	2.4724	1.2291		3.1516	3.1516	1.0895
H4	1.0756	2.0136	3.1516		1.8615	3.7288
H5	1.0756	2.0136	3.1516	1.8615		3.7288
H6	3.0896	1.9207	1.0895	3.7288	3.7288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	174.218	N2	C1	H4	120.080
N2	C1	H5	120.080	N2	C3	H6	111.724
H4	C1	H5	119.840

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HF/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	-0.295
2	N	-0.212
3	C	-0.182
4	H	0.237
5	H	0.237
6	H	0.214

	x	y	z	Total
	1.515	-2.058	0.000	2.556
CHELPG
AIM
ESP

	x	y	z
x	2.618	0.319	0.000
y	0.319	8.836	0.000
z	0.000	0.000	2.748

<r²>	41.496
(<r²>)^1/2	6.442

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)