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	hartrees
Energy at 0K	-132.509676
Energy at 298.15K	-132.512125
HF Energy	-132.509676
Nuclear repulsion energy	60.564407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3099	3057	1.73
2	A'	3030	2988	16.36
3	A'	2006	1978	155.96
4	A'	1453	1433	2.52
5	A'	1209	1193	7.57
6	A'	909	896	277.43
7	A'	635	627	83.29
8	A'	482	476	17.14
9	A"	3204	3160	2.21
10	A"	1100	1085	4.41
11	A"	931	918	8.28
12	A"	356	351	3.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.226	-1.166	0.000
N2	0.000	0.102	0.000
C3	-0.394	1.267	0.000
H4	0.323	-1.696	0.950
H5	0.323	-1.696	-0.950
H6	0.363	2.071	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2884	2.5115	1.0916	1.0916	3.2401
N2	1.2884		1.2302	2.0587	2.0587	2.0020
C3	2.5115	1.2302		3.1931	3.1931	1.1040
H4	1.0916	2.0587	3.1931		1.8996	3.8846
H5	1.0916	2.0587	3.1931	1.8996		3.8846
H6	3.2401	2.0020	1.1040	3.8846	3.8846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.417	N2	C1	H4	119.534
N2	C1	H5	119.534	N2	C3	H6	118.008
H4	C1	H5	120.931

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/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	-0.198
2	N	-0.106
3	C	-0.115
4	H	0.142
5	H	0.142
6	H	0.136

	x	y	z	Total
	1.352	-0.717	0.000	1.531
CHELPG
AIM
ESP

	x	y	z
x	2.543	-1.255	0.000
y	-1.255	8.488	0.000
z	0.000	0.000	2.662

<r²>	42.322
(<r²>)^1/2	6.506

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)