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	hartrees
Energy at 0K	-132.731735
Energy at 298.15K	-132.734251
HF Energy	-132.731735
Nuclear repulsion energy	61.135570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3139	0.90
2	A'	3072	3072	8.74
3	A'	1985	1985	226.52
4	A'	1501	1501	3.42
5	A'	1224	1224	7.98
6	A'	926	926	348.15
7	A'	714	714	81.37
8	A'	488	488	28.43
9	A"	3246	3246	1.93
10	A"	1143	1143	7.48
11	A"	966	966	9.94
12	A"	353	353	4.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.147	-1.168	0.000
N2	0.000	0.100	0.000
C3	-0.300	1.281	0.000
H4	0.205	-1.696	0.942
H5	0.205	-1.696	-0.942
H6	0.511	2.014	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2766	2.4895	1.0816	1.0816	3.2030
N2	1.2766		1.2185	2.0386	2.0386	1.9811
C3	2.4895	1.2185		3.1632	3.1632	1.0937
H4	1.0816	2.0386	3.1632		1.8842	3.8402
H5	1.0816	2.0386	3.1632	1.8842		3.8402
H6	3.2030	1.9811	1.0937	3.8402	3.8402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.334	N2	C1	H4	119.416
N2	C1	H5	119.416	N2	C3	H6	117.824
H4	C1	H5	121.167

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/Def2TZVPP

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	-0.145
2	N	0.065
3	C	-0.202
4	H	0.095
5	H	0.095
6	H	0.093

	x	y	z	Total
	1.404	-0.997	0.000	1.722
CHELPG
AIM
ESP

	x	y	z
x	3.655	-1.081	0.000
y	-1.081	9.628	0.000
z	0.000	0.000	3.354

<r²>	42.039
(<r²>)^1/2	6.484

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/Def2TZVPP

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)