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	hartrees
Energy at 0K	-132.608706
Energy at 298.15K	-132.611136
HF Energy	-132.608706
Nuclear repulsion energy	60.537210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3091	3091	0.41
2	A'	3021	3021	13.08
3	A'	1953	1953	195.35
4	A'	1449	1449	3.61
5	A'	1195	1195	6.38
6	A'	907	907	308.92
7	A'	668	668	80.25
8	A'	459	459	24.33
9	A"	3204	3204	3.05
10	A"	1102	1102	7.55
11	A"	927	927	10.02
12	A"	327	327	5.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.226	-1.167	0.000
N2	0.000	0.102	0.000
C3	-0.394	1.268	0.000
H4	0.319	-1.695	0.952
H5	0.319	-1.695	-0.952
H6	0.370	2.068	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2886	2.5127	1.0923	1.0923	3.2381
N2	1.2886		1.2312	2.0580	2.0580	2.0008
C3	2.5127	1.2312		3.1927	3.1927	1.1062
H4	1.0923	2.0580	3.1927		1.9034	3.8818
H5	1.0923	2.0580	3.1927	1.9034		3.8818
H6	3.2381	2.0008	1.1062	3.8818	3.8818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.438	N2	C1	H4	119.394
N2	C1	H5	119.394	N2	C3	H6	117.643
H4	C1	H5	121.212

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B97D3/aug-cc-pVDZ

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	0.681
2	N	0.168
3	C	0.025
4	H	-0.307
5	H	-0.307
6	H	-0.260

	x	y	z	Total
	1.391	-0.859	0.000	1.635
CHELPG
AIM
ESP

	x	y	z
x	4.580	-1.557	0.000
y	-1.557	10.042	0.000
z	0.000	0.000	3.909

<r²>	42.781
(<r²>)^1/2	6.541

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)