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	hartrees
Energy at 0K	-132.549751
Energy at 298.15K	-132.552221
HF Energy	-132.549751
Nuclear repulsion energy	60.315353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	3129	0.32
2	A'	3047	3047	26.56
3	A'	1974	1974	133.77
4	A'	1487	1487	4.72
5	A'	1190	1190	5.87
6	A'	907	907	334.46
7	A'	696	696	109.89
8	A'	470	470	16.63
9	A"	3237	3237	10.03
10	A"	1141	1141	5.54
11	A"	940	940	8.61
12	A"	350	350	8.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.265	-1.167	0.000
N2	0.000	0.102	0.000
C3	-0.432	1.260	0.000
H4	0.370	-1.697	0.943
H5	0.370	-1.697	-0.943
H6	0.258	2.118	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2965	2.5248	1.0866	1.0866	3.2849
N2	1.2965		1.2354	2.0646	2.0646	2.0322
C3	2.5248	1.2354		3.2052	3.2052	1.1006
H4	1.0866	2.0646	3.2052		1.8855	3.9313
H5	1.0866	2.0646	3.2052	1.8855		3.9313
H6	3.2849	2.0322	1.1006	3.9313	3.9313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.363	N2	C1	H4	119.816
N2	C1	H5	119.816	N2	C3	H6	120.789
H4	C1	H5	120.364

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B97D3/6-31G

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	-0.179
2	N	-0.261
3	C	-0.048
4	H	0.167
5	H	0.167
6	H	0.154

	x	y	z	Total
	1.417	-0.502	0.000	1.503
CHELPG
AIM
ESP

	x	y	z
x	2.455	-1.575	0.000
y	-1.575	8.431	0.000
z	0.000	0.000	2.474

<r²>	42.727
(<r²>)^1/2	6.537

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B97D3/6-31G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)