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	hartrees
Energy at 0K	-132.681999
Energy at 298.15K	-132.684529
HF Energy	-132.681999
Nuclear repulsion energy	61.168005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3038	1.29
2	A'	3082	2974	13.33
3	A'	2025	1954	174.45
4	A'	1508	1455	1.71
5	A'	1237	1193	8.59
6	A'	937	904	325.22
7	A'	725	700	65.34
8	A'	495	478	22.39
9	A"	3252	3138	2.62
10	A"	1152	1112	6.17
11	A"	973	939	8.09
12	A"	351	339	2.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.118	-1.169	0.000
N2	0.000	0.099	0.000
C3	-0.269	1.288	0.000
H4	0.169	-1.702	0.941
H5	0.169	-1.702	-0.941
H6	0.568	1.996	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2732	2.4870	1.0833	1.0833	3.1962
N2	1.2732		1.2190	2.0395	2.0395	1.9799
C3	2.4870	1.2190		3.1654	3.1654	1.0960
H4	1.0833	2.0395	3.1654		1.8827	3.8367
H5	1.0833	2.0395	3.1654	1.8827		3.8367
H6	3.1962	1.9799	1.0960	3.8367	3.8367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.574	N2	C1	H4	119.657
N2	C1	H5	119.657	N2	C3	H6	117.472
H4	C1	H5	120.685

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/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	-0.295
2	N	0.159
3	C	-0.289
4	H	0.137
5	H	0.137
6	H	0.151

	x	y	z	Total
	1.304	-0.998	0.000	1.642
CHELPG
AIM
ESP

	x	y	z
x	2.654	-0.646	0.000
y	-0.646	8.692	0.000
z	0.000	0.000	2.904

<r²>	41.758
(<r²>)^1/2	6.462

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)