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	hartrees
Energy at 0K	-132.553762
Energy at 298.15K	-132.556213
HF Energy	-132.553762
Nuclear repulsion energy	60.813218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	3047	2.56
2	A'	3030	2996	6.41
3	A'	1987	1964	216.77
4	A'	1441	1425	5.28
5	A'	1203	1189	6.46
6	A'	877	867	321.72
7	A'	652	645	97.49
8	A'	474	469	24.04
9	A"	3185	3149	0.73
10	A"	1098	1085	4.30
11	A"	927	916	10.31
12	A"	353	349	4.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.184	-1.170	0.000
N2	0.000	0.102	0.000
C3	-0.341	1.275	0.000
H4	0.255	-1.701	0.949
H5	0.255	-1.701	-0.949
H6	0.434	2.056	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2850	2.5004	1.0895	1.0895	3.2358
N2	1.2850		1.2216	2.0530	2.0530	2.0018
C3	2.5004	1.2216		3.1797	3.1797	1.1001
H4	1.0895	2.0530	3.1797		1.8974	3.8791
H5	1.0895	2.0530	3.1797	1.8974		3.8791
H6	3.2358	2.0018	1.1001	3.8791	3.8791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.008	N2	C1	H4	119.453
N2	C1	H5	119.453	N2	C3	H6	119.047
H4	C1	H5	121.092

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/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	-0.285
2	N	0.056
3	C	-0.201
4	H	0.147
5	H	0.147
6	H	0.137

	x	y	z	Total
	1.433	-0.778	0.000	1.631
CHELPG
AIM
ESP

	x	y	z
x	3.483	-1.349	0.000
y	-1.349	9.623	0.000
z	0.000	0.000	3.094

<r²>	42.490
(<r²>)^1/2	6.518

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)