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	hartrees
Energy at 0K	-132.572775
Energy at 298.15K	-132.575322
HF Energy	-132.572775
Nuclear repulsion energy	60.734860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3060	1.80
2	A'	3145	3012	10.60
3	A'	2040	1953	185.61
4	A'	1522	1457	5.61
5	A'	1235	1183	6.67
6	A'	890	853	402.50
7	A'	768	735	116.38
8	A'	493	472	23.78
9	A"	3306	3166	6.10
10	A"	1170	1121	5.35
11	A"	966	925	9.98
12	A"	367	352	8.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.175	-1.175	0.000
N2	0.000	0.100	0.000
C3	-0.325	1.281	0.000
H4	0.243	-1.710	0.939
H5	0.243	-1.710	-0.939
H6	0.418	2.084	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2863	2.5064	1.0826	1.0826	3.2680
N2	1.2863		1.2256	2.0529	2.0529	2.0280
C3	2.5064	1.2256		3.1861	3.1861	1.0939
H4	1.0826	2.0529	3.1861		1.8771	3.9123
H5	1.0826	2.0529	3.1861	1.8771		3.9123
H6	3.2680	2.0280	1.0939	3.9123	3.9123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.412	N2	C1	H4	119.893
N2	C1	H5	119.893	N2	C3	H6	121.833
H4	C1	H5	120.212

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/6-31G

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	-0.208
2	N	-0.281
3	C	-0.056
4	H	0.186
5	H	0.186
6	H	0.174

	x	y	z	Total
	1.481	-0.592	0.000	1.595
CHELPG
AIM
ESP

	x	y	z
x	2.212	-1.148	0.000
y	-1.148	8.642	0.000
z	0.000	0.000	2.441

<r²>	42.319
(<r²>)^1/2	6.505

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)