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	hartrees
Energy at 0K	-132.600442
Energy at 298.15K	-132.602887
HF Energy	-132.600442
Nuclear repulsion energy	60.641084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	3053	0.62
2	A'	3038	2985	14.68
3	A'	1970	1936	202.26
4	A'	1463	1438	3.74
5	A'	1200	1179	7.17
6	A'	915	899	318.67
7	A'	664	653	101.50
8	A'	465	457	27.63
9	A"	3212	3157	3.17
10	A"	1114	1095	6.26
11	A"	936	920	10.50
12	A"	344	338	5.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.181	-1.174	0.000
N2	0.000	0.101	0.000
C3	-0.340	1.283	0.000
H4	0.249	-1.704	0.948
H5	0.249	-1.704	-0.948
H6	0.455	2.043	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2876	2.5109	1.0881	1.0881	3.2285
N2	1.2876		1.2294	2.0539	2.0539	1.9946
C3	2.5109	1.2294		3.1882	3.1882	1.1001
H4	1.0881	2.0539	3.1882		1.8955	3.8706
H5	1.0881	2.0539	3.1882	1.8955		3.8706
H6	3.2285	1.9946	1.1001	3.8706	3.8706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.032	N2	C1	H4	119.424
N2	C1	H5	119.424	N2	C3	H6	117.695
H4	C1	H5	121.147

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B97D3/6-31+G**

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	-0.355
2	N	0.085
3	C	-0.205
4	H	0.163
5	H	0.163
6	H	0.148

	x	y	z	Total
	1.492	-0.896	0.000	1.741
CHELPG
AIM
ESP

	x	y	z
x	3.754	-1.552	0.000
y	-1.552	9.892	0.000
z	0.000	0.000	3.120

<r²>	42.705
(<r²>)^1/2	6.535

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)