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	hartrees
Energy at 0K	-132.679367
Energy at 298.15K	-132.681868
HF Energy	-132.679367
Nuclear repulsion energy	60.797323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3041	1.83
2	A'	3073	2980	11.48
3	A'	2009	1948	209.04
4	A'	1476	1432	2.12
5	A'	1229	1192	9.11
6	A'	922	894	330.00
7	A'	708	687	72.65
8	A'	486	472	22.16
9	A"	3249	3152	1.81
10	A"	1128	1094	6.33
11	A"	955	926	10.26
12	A"	344	333	2.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.145	-1.173	0.000
N2	0.000	0.100	0.000
C3	-0.302	1.288	0.000
H4	0.208	-1.706	0.951
H5	0.208	-1.706	-0.951
H6	0.526	2.020	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2809	2.5009	1.0919	1.0919	3.2153
N2	1.2809		1.2258	2.0516	2.0516	1.9907
C3	2.5009	1.2258		3.1826	3.1826	1.1048
H4	1.0919	2.0516	3.1826		1.9013	3.8586
H5	1.0919	2.0516	3.1826	1.9013		3.8586
H6	3.2153	1.9907	1.1048	3.8586	3.8586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.239	N2	C1	H4	119.470
N2	C1	H5	119.470	N2	C3	H6	117.243
H4	C1	H5	121.059

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYPultrafine/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	-0.046
2	N	0.035
3	C	-0.149
4	H	0.046
5	H	0.046
6	H	0.067

	x	y	z	Total
	1.408	-0.920	0.000	1.682
CHELPG
AIM
ESP

	x	y	z
x	2.618	-0.869	0.000
y	-0.869	8.887	0.000
z	0.000	0.000	2.761

<r²>	42.240
(<r²>)^1/2	6.499

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)