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	hartrees
Energy at 0K	-132.720698
Energy at 298.15K	-132.723218
HF Energy	-132.720698
Nuclear repulsion energy	61.223388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3034	1.77
2	A'	3090	2983	6.67
3	A'	2001	1932	256.36
4	A'	1502	1450	4.16
5	A'	1233	1191	8.52
6	A'	902	870	379.20
7	A'	734	709	91.69
8	A'	485	468	27.65
9	A"	3247	3134	1.87
10	A"	1147	1108	6.01
11	A"	966	933	9.80
12	A"	351	338	4.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.129	-1.168	0.000
N2	0.000	0.100	0.000
C3	-0.278	1.283	0.000
H4	0.181	-1.700	0.941
H5	0.181	-1.700	-0.941
H6	0.537	2.010	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2752	2.4850	1.0816	1.0816	3.2042
N2	1.2752		1.2151	2.0390	2.0390	1.9834
C3	2.4850	1.2151		3.1610	3.1610	1.0920
H4	1.0816	2.0390	3.1610		1.8813	3.8434
H5	1.0816	2.0390	3.1610	1.8813		3.8434
H6	3.2042	1.9834	1.0920	3.8434	3.8434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.549	N2	C1	H4	119.575
N2	C1	H5	119.575	N2	C3	H6	118.471
H4	C1	H5	120.849

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/TZVP

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	-0.234
2	N	-0.006
3	C	-0.172
4	H	0.140
5	H	0.140
6	H	0.132

	x	y	z	Total
	1.487	-0.946	0.000	1.762
CHELPG
AIM
ESP

	x	y	z
x	3.334	-1.073	0.000
y	-1.073	9.715	0.000
z	0.000	0.000	3.050

<r²>	42.122
(<r²>)^1/2	6.490

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)