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	hartrees
Energy at 0K	-131.859825
Energy at 298.15K	-131.862398
HF Energy	-131.859825
Nuclear repulsion energy	60.863896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3041	5.64
2	A'	3058	2932	4.08
3	A'	2019	1935	232.87
4	A'	1535	1472	4.87
5	A'	1235	1184	5.23
6	A'	845	810	474.78
7	A'	814	781	112.72
8	A'	505	484	33.92
9	A"	3274	3139	2.18
10	A"	1186	1137	4.74
11	A"	971	931	10.14
12	A"	373	358	7.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.125	-1.178	0.000
N2	0.000	0.099	0.000
C3	-0.270	1.293	0.000
H4	0.173	-1.714	0.937
H5	0.173	-1.714	-0.937
H6	0.525	2.046	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2826	2.5014	1.0810	1.0810	3.2481
N2	1.2826		1.2237	2.0483	2.0483	2.0163
C3	2.5014	1.2237		3.1803	3.1803	1.0948
H4	1.0810	2.0483	3.1803		1.8745	3.8908
H5	1.0810	2.0483	3.1803	1.8745		3.8908
H6	3.2481	2.0163	1.0948	3.8908	3.8908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.841	N2	C1	H4	119.886
N2	C1	H5	119.886	N2	C3	H6	120.733
H4	C1	H5	120.226

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/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	-0.182
2	N	-0.513
3	C	0.020
4	H	0.227
5	H	0.227
6	H	0.221

	x	y	z	Total
	1.551	-0.787	0.000	1.739
CHELPG
AIM
ESP

	x	y	z
x	1.860	-0.818	0.000
y	-0.818	8.478	0.000
z	0.000	0.000	2.278

<r²>	42.244
(<r²>)^1/2	6.500

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)