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	hartrees
Energy at 0K	-132.528116
Energy at 298.15K	-132.530658
HF Energy	-132.528116
Nuclear repulsion energy	61.290108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3037	2.40
2	A'	3113	2981	9.77
3	A'	2054	1967	194.70
4	A'	1506	1443	1.83
5	A'	1251	1198	8.83
6	A'	923	884	332.76
7	A'	730	699	69.42
8	A'	501	480	26.44
9	A"	3280	3141	1.53
10	A"	1147	1099	5.66
11	A"	975	934	8.71
12	A"	358	343	2.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.110	-1.167	0.000
N2	0.000	0.099	0.000
C3	-0.260	1.287	0.000
H4	0.158	-1.699	0.942
H5	0.158	-1.699	-0.942
H6	0.582	1.988	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2700	2.4810	1.0833	1.0833	3.1894
N2	1.2700		1.2162	2.0355	2.0355	1.9768
C3	2.4810	1.2162		3.1583	3.1583	1.0958
H4	1.0833	2.0355	3.1583		1.8849	3.8285
H5	1.0833	2.0355	3.1583	1.8849		3.8285
H6	3.1894	1.9768	1.0958	3.8285	3.8285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.641	N2	C1	H4	119.545
N2	C1	H5	119.545	N2	C3	H6	117.433
H4	C1	H5	120.909

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/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	-0.336
2	N	0.138
3	C	-0.299
4	H	0.162
5	H	0.162
6	H	0.174

	x	y	z	Total
	1.323	-1.006	0.000	1.662
CHELPG
AIM
ESP

	x	y	z
x	2.667	-0.625	0.000
y	-0.625	8.696	0.000
z	0.000	0.000	2.910

<r²>	41.561
(<r²>)^1/2	6.447

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)