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	hartrees
Energy at 0K	-132.545611
Energy at 298.15K	-132.548134
HF Energy	-132.545611
Nuclear repulsion energy	61.234183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3034	0.67
2	A'	3111	2985	11.45
3	A'	2033	1951	236.79
4	A'	1505	1445	2.92
5	A'	1249	1199	10.28
6	A'	927	890	363.92
7	A'	711	682	90.77
8	A'	495	475	28.43
9	A"	3270	3137	3.35
10	A"	1154	1107	5.30
11	A"	973	933	11.29
12	A"	354	339	3.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-1.170	0.000
N2	0.000	0.099	0.000
C3	-0.236	1.293	0.000
H4	0.127	-1.703	0.943
H5	0.127	-1.703	-0.943
H6	0.619	1.976	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2726	2.4845	1.0835	1.0835	3.1900
N2	1.2726		1.2166	2.0376	2.0376	1.9760
C3	2.4845	1.2166		3.1611	3.1611	1.0944
H4	1.0835	2.0376	3.1611		1.8859	3.8290
H5	1.0835	2.0376	3.1611	1.8859		3.8290
H6	3.1900	1.9760	1.0944	3.8290	3.8290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.892	N2	C1	H4	119.507
N2	C1	H5	119.507	N2	C3	H6	117.430
H4	C1	H5	120.985

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/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	-0.395
2	N	-0.113
3	C	-0.205
4	H	0.241
5	H	0.241
6	H	0.231

	x	y	z	Total
	1.461	-1.041	0.000	1.794
CHELPG
AIM
ESP

	x	y	z
x	2.743	-0.707	0.000
y	-0.707	9.003	0.000
z	0.000	0.000	2.775

<r²>	41.827
(<r²>)^1/2	6.467

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)