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	hartrees
Energy at 0K	-132.613387
Energy at 298.15K	-132.615924
HF Energy	-132.613387
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3031	0.67
2	A'	3131	2970	19.14
3	A'	2038	1933	217.92
4	A'	1540	1461	1.08
5	A'	1256	1191	11.79
6	A'	953	904	358.57
7	A'	757	718	81.77
8	A'	496	470	26.98
9	A"	3303	3133	4.36
10	A"	1175	1114	6.66
11	A"	990	939	9.08
12	A"	347	329	3.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.115	-1.170	0.000
N2	0.000	0.098	0.000
C3	-0.268	1.293	0.000
H4	0.166	-1.700	0.944
H5	0.166	-1.700	-0.944
H6	0.588	1.977	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2730	2.4920	1.0841	1.0841	3.1821
N2	1.2730		1.2244	2.0379	2.0379	1.9687
C3	2.4920	1.2244		3.1683	3.1683	1.0957
H4	1.0841	2.0379	3.1683		1.8879	3.8199
H5	1.0841	2.0379	3.1683	1.8879		3.8199
H6	3.1821	1.9687	1.0957	3.8199	3.8199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.526	N2	C1	H4	119.455
N2	C1	H5	119.455	N2	C3	H6	116.000
H4	C1	H5	121.089

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/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	-0.303
2	N	-0.101
3	C	-0.168
4	H	0.195
5	H	0.195
6	H	0.183

	x	y	z	Total
	1.479	-1.089	0.000	1.837
CHELPG
AIM
ESP

	x	y	z
x	2.307	-0.697	0.000
y	-0.697	8.697	0.000
z	0.000	0.000	2.604

<r²>	41.731
(<r²>)^1/2	6.460

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)