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	hartrees
Energy at 0K	-131.879730
Energy at 298.15K	-131.882280
HF Energy	-131.879730
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3195	3.75
2	A'	3154	3154	5.21
3	A'	2031	2031	222.49
4	A'	1531	1531	5.16
5	A'	1236	1236	5.62
6	A'	857	857	465.15
7	A'	800	800	120.47
8	A'	497	497	29.00
9	A"	3302	3302	4.24
10	A"	1180	1180	3.80
11	A"	985	985	11.81
12	A"	355	355	6.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.122	-1.176	0.000
N2	0.000	0.099	0.000
C3	-0.266	1.291	0.000
H4	0.172	-1.713	0.938
H5	0.172	-1.713	-0.938
H6	0.521	2.048	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2812	2.4974	1.0816	1.0816	3.2494
N2	1.2812		1.2210	2.0472	2.0472	2.0179
C3	2.4974	1.2210		3.1765	3.1765	1.0924
H4	1.0816	2.0472	3.1765		1.8760	3.8919
H5	1.0816	2.0472	3.1765	1.8760		3.8919
H6	3.2494	2.0179	1.0924	3.8919	3.8919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.881	N2	C1	H4	119.857
N2	C1	H5	119.857	N2	C3	H6	121.342
H4	C1	H5	120.286

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/3-21G

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	-0.223
2	N	-0.491
3	C	0.003
4	H	0.239
5	H	0.239
6	H	0.234

	x	y	z	Total
	1.564	-0.716	0.000	1.720
CHELPG
AIM
ESP

	x	y	z
x	1.829	-0.800	0.000
y	-0.800	8.378	0.000
z	0.000	0.000	2.295

<r²>	42.076
(<r²>)^1/2	6.487

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)