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	hartrees
Energy at 0K	-132.516051
Energy at 298.15K	-132.518506
HF Energy	-132.516051
Nuclear repulsion energy	60.742274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3092	3060	2.18
2	A'	3026	2995	12.27
3	A'	2004	1984	150.95
4	A'	1447	1432	2.60
5	A'	1206	1193	6.68
6	A'	910	901	280.95
7	A'	639	633	70.83
8	A'	482	477	17.92
9	A"	3196	3164	1.23
10	A"	1102	1091	4.62
11	A"	933	924	8.41
12	A"	353	350	2.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.210	-1.165	0.000
N2	0.000	0.101	0.000
C3	-0.376	1.268	0.000
H4	0.301	-1.695	0.949
H5	0.301	-1.695	-0.949
H6	0.392	2.061	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2838	2.5030	1.0907	1.0907	3.2307
N2	1.2838		1.2260	2.0536	2.0536	1.9981
C3	2.5030	1.2260		3.1840	3.1840	1.1035
H4	1.0907	2.0536	3.1840		1.8985	3.8744
H5	1.0907	2.0536	3.1840	1.8985		3.8744
H6	3.2307	1.9981	1.1035	3.8744	3.8744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.573	N2	C1	H4	119.508
N2	C1	H5	119.508	N2	C3	H6	118.028
H4	C1	H5	120.984

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.316
2	N	0.153
3	C	-0.288
4	H	0.146
5	H	0.146
6	H	0.158

	x	y	z	Total
	1.298	-0.797	0.000	1.523
CHELPG
AIM
ESP

	x	y	z
x	2.843	-1.117	0.000
y	-1.117	8.594	0.000
z	0.000	0.000	2.955

<r²>	42.149
(<r²>)^1/2	6.492

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)