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	hartrees
Energy at 0K	-22.871942
Energy at 298.15K	-22.874452
HF Energy	-22.871942
Nuclear repulsion energy	32.160191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3110	3030	0.30
2	A'	3014	2937	23.96
3	A'	1922	1873	186.34
4	A'	1492	1454	6.32
5	A'	1180	1150	5.87
6	A'	898	875	428.63
7	A'	766	746	124.33
8	A'	472	460	26.01
9	A"	3233	3151	12.03
10	A"	1157	1128	6.87
11	A"	953	929	11.94
12	A"	340	332	8.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.214	-1.182	0.000
N2	0.000	0.101	0.000
C3	-0.376	1.287	0.000
H4	0.296	-1.715	0.943
H5	0.296	-1.715	-0.943
H6	0.378	2.094	0.000

	C1	N2	C3	H4	H5	H6
C1		1.3012	2.5393	1.0865	1.0865	3.2804
N2	1.3012		1.2445	2.0679	2.0679	2.0284
C3	2.5393	1.2445		3.2182	3.2182	1.1039
H4	1.0865	2.0679	3.2182		1.8868	3.9249
H5	1.0865	2.0679	3.2182	1.8868		3.9249
H6	3.2804	2.0284	1.1039	3.9249	3.9249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.893	N2	C1	H4	119.735
N2	C1	H5	119.735	N2	C3	H6	119.354
H4	C1	H5	120.525

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/CEP-121G

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	-0.402
2	N	0.259
3	C	-0.322
4	H	0.165
5	H	0.165
6	H	0.135

	x	y	z	Total
	1.683	-0.753	0.000	1.844
CHELPG
AIM
ESP

	x	y	z
x	3.121	-1.562	0.000
y	-1.562	9.633	0.000
z	0.000	0.000	2.781

<r²>	36.852
(<r²>)^1/2	6.071

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)