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	hartrees
Energy at 0K	-130.813189
Energy at 298.15K	-130.815516
HF Energy	-130.813189
Nuclear repulsion energy	59.765741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3417	3014	69.45
2	A'	3286	2899	0.02
3	A'	2111	1862	39.25
4	A'	1600	1412	0.80
5	A'	1264	1115	2.54
6	A'	993	876	244.19
7	A'	737	650	58.28
8	A'	462	407	10.06
9	A"	3590	3167	2.06
10	A"	1193	1052	7.61
11	A"	1010	891	1.61
12	A"	329	291	4.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.509	-1.088	0.000
N2	0.000	0.111	0.000
C3	-0.729	1.136	0.000
H4	0.736	-1.583	0.950
H5	0.736	-1.583	-0.950
H6	-0.156	2.100	0.000

	C1	N2	C3	H4	H5	H6
C1		1.3018	2.5451	1.0949	1.0949	3.2565
N2	1.3018		1.2582	2.0767	2.0767	1.9959
C3	2.5451	1.2582		3.2316	3.2316	1.1217
H4	1.0949	2.0767	3.2316		1.8990	3.9073
H5	1.0949	2.0767	3.2316	1.8990		3.9073
H6	3.2565	1.9959	1.1217	3.9073	3.9073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	167.637	N2	C1	H4	119.855
N2	C1	H5	119.855	N2	C3	H6	113.880
H4	C1	H5	120.266

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/STO-3G

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	-0.101
2	N	-0.164
3	C	-0.030
4	H	0.102
5	H	0.102
6	H	0.091

	x	y	z	Total
	1.387	-0.296	0.000	1.418
CHELPG
AIM
ESP

	x	y	z
x	1.725	-1.881	0.000
y	-1.881	4.866	0.000
z	0.000	0.000	1.310

<r²>	42.322
(<r²>)^1/2	6.506

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)