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	hartrees
Energy at 0K	-132.558440
Energy at 298.15K	-132.560897
HF Energy	-132.558440
Nuclear repulsion energy	60.855052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	3056	2.23
2	A'	3026	3006	3.73
3	A'	1977	1964	224.35
4	A'	1437	1427	4.67
5	A'	1200	1192	5.68
6	A'	882	877	319.61
7	A'	651	647	81.45
8	A'	477	474	27.57
9	A"	3178	3158	0.56
10	A"	1094	1087	5.90
11	A"	924	918	10.97
12	A"	353	351	4.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.153	-1.174	0.000
N2	0.000	0.101	0.000
C3	-0.305	1.283	0.000
H4	0.212	-1.705	0.949
H5	0.212	-1.705	-0.949
H6	0.489	2.043	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2845	2.4992	1.0886	1.0886	3.2347
N2	1.2845		1.2203	2.0510	2.0510	2.0024
C3	2.4992	1.2203		3.1770	3.1770	1.0991
H4	1.0886	2.0510	3.1770		1.8971	3.8760
H5	1.0886	2.0510	3.1770	1.8971		3.8760
H6	3.2347	2.0024	1.0991	3.8760	3.8760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.362	N2	C1	H4	119.381
N2	C1	H5	119.381	N2	C3	H6	119.289
H4	C1	H5	121.236

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/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	-0.540
2	N	-0.040
3	C	-0.452
4	H	0.344
5	H	0.344
6	H	0.343

	x	y	z	Total
	1.307	-0.833	0.000	1.550
CHELPG
AIM
ESP

	x	y	z
x	4.442	-1.199	0.000
y	-1.199	10.177	0.000
z	0.000	0.000	3.986

<r²>	42.511
(<r²>)^1/2	6.520

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)