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	hartrees
Energy at 0K	-132.520419
Energy at 298.15K	-132.522956
HF Energy	-132.520419
Nuclear repulsion energy	61.113587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3037	1.90
2	A'	3121	2979	13.54
3	A'	2057	1963	202.92
4	A'	1513	1443	1.69
5	A'	1256	1199	9.74
6	A'	922	880	333.37
7	A'	728	695	81.95
8	A'	501	479	25.26
9	A"	3292	3141	2.64
10	A"	1146	1093	5.63
11	A"	972	928	8.52
12	A"	359	343	3.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.135	-1.168	0.000
N2	0.000	0.099	0.000
C3	-0.288	1.285	0.000
H4	0.193	-1.700	0.943
H5	0.193	-1.700	-0.943
H6	0.537	2.006	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2744	2.4894	1.0839	1.0839	3.1994
N2	1.2744		1.2205	2.0402	2.0402	1.9809
C3	2.4894	1.2205		3.1670	3.1670	1.0958
H4	1.0839	2.0402	3.1670		1.8855	3.8393
H5	1.0839	2.0402	3.1670	1.8855		3.8393
H6	3.1994	1.9809	1.0958	3.8393	3.8393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.401	N2	C1	H4	119.567
N2	C1	H5	119.567	N2	C3	H6	117.469
H4	C1	H5	120.867

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/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	-0.202
2	N	-0.140
3	C	-0.112
4	H	0.154
5	H	0.154
6	H	0.148

	x	y	z	Total
	1.399	-0.916	0.000	1.672
CHELPG
AIM
ESP

	x	y	z
x	2.358	-0.795	0.000
y	-0.795	8.619	0.000
z	0.000	0.000	2.622

<r²>	41.742
(<r²>)^1/2	6.461

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)