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	hartrees
Energy at 0K	-132.642121
Energy at 298.15K	-132.644580
HF Energy	-132.642121
Nuclear repulsion energy	60.963153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3090	3043	0.66
2	A'	3029	2982	9.35
3	A'	1957	1927	209.57
4	A'	1458	1436	3.90
5	A'	1198	1179	6.26
6	A'	905	891	322.88
7	A'	664	654	78.87
8	A'	472	464	25.64
9	A"	3192	3143	2.34
10	A"	1113	1096	6.89
11	A"	937	923	10.16
12	A"	343	338	4.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.170	-1.169	0.000
N2	0.000	0.101	0.000
C3	-0.327	1.277	0.000
H4	0.238	-1.698	0.944
H5	0.238	-1.698	-0.944
H6	0.460	2.040	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2817	2.4959	1.0845	1.0845	3.2221
N2	1.2817		1.2201	2.0459	2.0459	1.9926
C3	2.4959	1.2201		3.1717	3.1717	1.0962
H4	1.0845	2.0459	3.1717		1.8890	3.8617
H5	1.0845	2.0459	3.1717	1.8890		3.8617
H6	3.2221	1.9926	1.0962	3.8617	3.8617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.119	N2	C1	H4	119.441
N2	C1	H5	119.441	N2	C3	H6	118.597
H4	C1	H5	121.116

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B97D3/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	-0.477
2	N	0.075
3	C	-0.504
4	H	0.288
5	H	0.288
6	H	0.330

	x	y	z	Total
	1.329	-0.862	0.000	1.584
CHELPG
AIM
ESP

	x	y	z
x	4.463	-1.294	0.000
y	-1.294	10.097	0.000
z	0.000	0.000	3.959

<r²>	42.334
(<r²>)^1/2	6.506

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)