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	hartrees
Energy at 0K	-132.626759
Energy at 298.15K	-132.629287
HF Energy	-132.626759
Nuclear repulsion energy	61.209434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3036	1.90
2	A'	3098	2978	11.02
3	A'	2041	1962	187.75
4	A'	1501	1443	1.95
5	A'	1243	1195	8.56
6	A'	925	890	327.80
7	A'	719	691	70.07
8	A'	497	478	24.69
9	A"	3266	3140	1.75
10	A"	1144	1100	5.59
11	A"	970	933	8.78
12	A"	354	341	2.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.123	-1.167	0.000
N2	0.000	0.099	0.000
C3	-0.275	1.285	0.000
H4	0.176	-1.699	0.943
H5	0.176	-1.699	-0.943
H6	0.558	1.998	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2723	2.4847	1.0837	1.0837	3.1948
N2	1.2723		1.2177	2.0378	2.0378	1.9791
C3	2.4847	1.2177		3.1620	3.1620	1.0962
H4	1.0837	2.0378	3.1620		1.8856	3.8342
H5	1.0837	2.0378	3.1620	1.8856		3.8342
H6	3.1948	1.9791	1.0962	3.8342	3.8342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.513	N2	C1	H4	119.542
N2	C1	H5	119.542	N2	C3	H6	117.488
H4	C1	H5	120.915

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.337
2	N	0.138
3	C	-0.299
4	H	0.162
5	H	0.162
6	H	0.173

	x	y	z	Total
	1.324	-0.984	0.000	1.649
CHELPG
AIM
ESP

	x	y	z
x	2.686	-0.692	0.000
y	-0.692	8.695	0.000
z	0.000	0.000	2.914

<r²>	41.622
(<r²>)^1/2	6.452

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)