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	hartrees
Energy at 0K	-132.525086
Energy at 298.15K	-132.527515
HF Energy	-132.525086
Nuclear repulsion energy	60.456429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	3063	2.20
2	A'	3026	3008	5.42
3	A'	1975	1962	209.18
4	A'	1428	1419	4.40
5	A'	1198	1191	5.87
6	A'	883	878	307.37
7	A'	655	651	82.04
8	A'	465	462	25.96
9	A"	3196	3177	0.69
10	A"	1085	1078	6.48
11	A"	914	908	10.82
12	A"	339	337	4.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.215	-1.171	0.000
N2	0.000	0.102	0.000
C3	-0.380	1.273	0.000
H4	0.303	-1.701	0.955
H5	0.303	-1.701	-0.955
H6	0.384	2.076	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2907	2.5148	1.0960	1.0960	3.2507
N2	1.2907		1.2308	2.0625	2.0625	2.0106
C3	2.5148	1.2308		3.1968	3.1968	1.1085
H4	1.0960	2.0625	3.1968		1.9107	3.8960
H5	1.0960	2.0625	3.1968	1.9107		3.8960
H6	3.2507	2.0106	1.1085	3.8960	3.8960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.601	N2	C1	H4	119.350
N2	C1	H5	119.350	N2	C3	H6	118.427
H4	C1	H5	121.300

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	0.656
2	N	0.170
3	C	0.015
4	H	-0.296
5	H	-0.296
6	H	-0.250

	x	y	z	Total
	1.369	-0.813	0.000	1.592
CHELPG
AIM
ESP

	x	y	z
x	4.539	-1.495	0.000
y	-1.495	10.097	0.000
z	0.000	0.000	3.917

<r²>	42.928
(<r²>)^1/2	6.552

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)