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	hartrees
Energy at 0K	-130.920541
Energy at 298.15K	-130.922842
HF Energy	-130.920541
Nuclear repulsion energy	59.596006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3388	2998	64.02
2	A'	3251	2877	0.11
3	A'	2084	1844	35.34
4	A'	1588	1405	0.77
5	A'	1247	1103	2.38
6	A'	992	878	235.86
7	A'	715	633	58.02
8	A'	455	402	8.97
9	A"	3560	3150	1.65
10	A"	1184	1048	7.61
11	A"	1000	885	1.61
12	A"	326	288	4.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.530	-1.082	0.000
N2	0.000	0.112	0.000
C3	-0.752	1.125	0.000
H4	0.766	-1.574	0.951
H5	0.766	-1.574	-0.951
H6	-0.199	2.103	0.000

	C1	N2	C3	H4	H5	H6
C1		1.3065	2.5524	1.0968	1.0968	3.2674
N2	1.3065		1.2616	2.0822	2.0822	2.0008
C3	2.5524	1.2616		3.2395	3.2395	1.1240
H4	1.0968	2.0822	3.2395		1.9028	3.9189
H5	1.0968	2.0822	3.2395	1.9028		3.9189
H6	3.2674	2.0008	1.1240	3.9189	3.9189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	167.331	N2	C1	H4	119.825
N2	C1	H5	119.825	N2	C3	H6	113.885
H4	C1	H5	120.324

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/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	-0.097
2	N	-0.166
3	C	-0.026
4	H	0.100
5	H	0.100
6	H	0.090

	x	y	z	Total
	1.363	-0.260	0.000	1.388
CHELPG
AIM
ESP

	x	y	z
x	1.806	-1.942	0.000
y	-1.942	4.820	0.000
z	0.000	0.000	1.318

<r²>	42.499
(<r²>)^1/2	6.519

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)