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	hartrees
Energy at 0K	-132.729044
Energy at 298.15K	-132.731565
HF Energy	-132.729044
Nuclear repulsion energy	61.126496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3028	1.05
2	A'	3070	2963	6.99
3	A'	1980	1911	228.01
4	A'	1499	1447	3.53
5	A'	1222	1180	7.64
6	A'	926	894	350.14
7	A'	713	688	80.13
8	A'	486	469	30.04
9	A"	3243	3130	1.59
10	A"	1142	1102	8.29
11	A"	964	930	10.36
12	A"	351	339	4.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.150	-1.168	0.000
N2	0.000	0.100	0.000
C3	-0.304	1.280	0.000
H4	0.209	-1.696	0.942
H5	0.209	-1.696	-0.942
H6	0.506	2.016	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2768	2.4900	1.0815	1.0815	3.2037
N2	1.2768		1.2188	2.0385	2.0385	1.9814
C3	2.4900	1.2188		3.1634	3.1634	1.0935
H4	1.0815	2.0385	3.1634		1.8845	3.8406
H5	1.0815	2.0385	3.1634	1.8845		3.8406
H6	3.2037	1.9814	1.0935	3.8406	3.8406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.305	N2	C1	H4	119.398
N2	C1	H5	119.398	N2	C3	H6	117.838
H4	C1	H5	121.203

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.379
2	N	0.047
3	C	-0.481
4	H	0.248
5	H	0.248
6	H	0.317

	x	y	z	Total
	1.390	-1.001	0.000	1.713
CHELPG
AIM
ESP

	x	y	z
x	4.283	-1.172	0.000
y	-1.172	9.982	0.000
z	0.000	0.000	3.863

<r²>	42.112
(<r²>)^1/2	6.489

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)