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	hartrees
Energy at 0K	-132.555008
Energy at 298.15K	-132.557462
HF Energy	-132.555008
Nuclear repulsion energy	60.875195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	3051	2.19
2	A'	3029	3004	3.43
3	A'	1984	1968	229.24
4	A'	1438	1426	4.80
5	A'	1202	1193	5.52
6	A'	881	874	321.63
7	A'	652	647	83.84
8	A'	477	473	28.71
9	A"	3178	3152	0.50
10	A"	1097	1088	5.58
11	A"	925	918	11.43
12	A"	354	351	4.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.153	-1.173	0.000
N2	0.000	0.101	0.000
C3	-0.304	1.283	0.000
H4	0.211	-1.705	0.948
H5	0.211	-1.705	-0.948
H6	0.488	2.044	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2838	2.4981	1.0885	1.0885	3.2349
N2	1.2838		1.2198	2.0509	2.0509	2.0032
C3	2.4981	1.2198		3.1765	3.1765	1.0990
H4	1.0885	2.0509	3.1765		1.8962	3.8771
H5	1.0885	2.0509	3.1765	1.8962		3.8771
H6	3.2349	2.0032	1.0990	3.8771	3.8771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.384	N2	C1	H4	119.427
N2	C1	H5	119.427	N2	C3	H6	119.418
H4	C1	H5	121.142

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	0.016
2	N	-0.511
3	C	0.043
4	H	0.147
5	H	0.147
6	H	0.157

	x	y	z	Total
	1.323	-0.831	0.000	1.562
CHELPG
AIM
ESP

	x	y	z
x	4.313	-1.256	0.000
y	-1.256	10.110	0.000
z	0.000	0.000	3.802

<r²>	42.501
(<r²>)^1/2	6.519

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)