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	hartrees
Energy at 0K	-131.779876
Energy at 298.15K	-131.782414
HF Energy	-131.779876
Nuclear repulsion energy	60.910713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3068	3.33
2	A'	3127	3012	6.97
3	A'	2039	1964	194.58
4	A'	1515	1459	5.62
5	A'	1231	1186	4.77
6	A'	847	816	415.85
7	A'	765	737	123.53
8	A'	498	479	27.07
9	A"	3289	3168	4.24
10	A"	1164	1121	3.46
11	A"	974	939	10.68
12	A"	363	350	7.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.138	-1.176	0.000
N2	0.000	0.100	0.000
C3	-0.283	1.286	0.000
H4	0.193	-1.714	0.937
H5	0.193	-1.714	-0.937
H6	0.481	2.068	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2829	2.4976	1.0823	1.0823	3.2617
N2	1.2829		1.2196	2.0509	2.0509	2.0262
C3	2.4976	1.2196		3.1792	3.1792	1.0933
H4	1.0823	2.0509	3.1792		1.8745	3.9073
H5	1.0823	2.0509	3.1792	1.8745		3.9073
H6	3.2617	2.0262	1.0933	3.9073	3.9073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.785	N2	C1	H4	120.010
N2	C1	H5	120.010	N2	C3	H6	122.243
H4	C1	H5	119.977

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/3-21G

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	-0.221
2	N	-0.506
3	C	0.018
4	H	0.238
5	H	0.238
6	H	0.233

	x	y	z	Total
	1.484	-0.619	0.000	1.608
CHELPG
AIM
ESP

	x	y	z
x	1.855	-0.872	0.000
y	-0.872	8.267	0.000
z	0.000	0.000	2.287

<r²>	42.153
(<r²>)^1/2	6.493

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)