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	hartrees
Energy at 0K	-132.725503
Energy at 298.15K	-132.728021
HF Energy	-132.725503
Nuclear repulsion energy	61.146590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3136	0.88
2	A'	3072	3072	6.80
3	A'	1984	1984	233.08
4	A'	1500	1500	3.64
5	A'	1224	1224	7.39
6	A'	924	924	353.01
7	A'	717	717	82.75
8	A'	486	486	30.76
9	A"	3241	3241	1.64
10	A"	1144	1144	8.00
11	A"	965	965	10.79
12	A"	351	351	4.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.152	-1.167	0.000
N2	0.000	0.100	0.000
C3	-0.306	1.279	0.000
H4	0.212	-1.695	0.942
H5	0.212	-1.695	-0.942
H6	0.500	2.018	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2763	2.4890	1.0813	1.0813	3.2040
N2	1.2763		1.2183	2.0382	2.0382	1.9819
C3	2.4890	1.2183		3.1627	3.1627	1.0932
H4	1.0813	2.0382	3.1627		1.8836	3.8413
H5	1.0813	2.0382	3.1627	1.8836		3.8413
H6	3.2040	1.9819	1.0932	3.8413	3.8413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.292	N2	C1	H4	119.429
N2	C1	H5	119.429	N2	C3	H6	117.953
H4	C1	H5	121.140

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/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	0.100
2	N	-0.555
3	C	0.072
4	H	0.126
5	H	0.126
6	H	0.131

	x	y	z	Total
	1.410	-0.998	0.000	1.727
CHELPG
AIM
ESP

	x	y	z
x	4.193	-1.239	0.000
y	-1.239	9.932	0.000
z	0.000	0.000	3.718

<r²>	42.100
(<r²>)^1/2	6.488

All results from a given calculation for H2CNCH (methyleneaminomethylene)

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

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)