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	hartrees
Energy at 0K	-132.638521
Energy at 298.15K	-132.641094
HF Energy	-132.638521
Nuclear repulsion energy	61.245580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3154	5.41
2	A'	3120	3120	2.33
3	A'	2021	2021	278.32
4	A'	1510	1510	2.57
5	A'	1252	1252	11.57
6	A'	909	909	384.20
7	A'	776	776	82.23
8	A'	507	507	35.24
9	A"	3266	3266	0.36
10	A"	1152	1152	6.04
11	A"	982	982	11.56
12	A"	362	362	3.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.060	-1.172	0.000
N2	0.000	0.099	0.000
C3	-0.202	1.300	0.000
H4	0.084	-1.701	0.943
H5	0.084	-1.701	-0.943
H6	0.684	1.942	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2725	2.4861	1.0813	1.0813	3.1764
N2	1.2725		1.2180	2.0336	2.0336	1.9661
C3	2.4861	1.2180		3.1587	3.1587	1.0940
H4	1.0813	2.0336	3.1587		1.8858	3.8107
H5	1.0813	2.0336	3.1587	1.8858		3.8107
H6	3.1764	1.9661	1.0940	3.8107	3.8107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.152	N2	C1	H4	119.308
N2	C1	H5	119.308	N2	C3	H6	116.406
H4	C1	H5	121.385

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/6-311G**

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	-0.193
2	N	-0.157
3	C	-0.114
4	H	0.156
5	H	0.156
6	H	0.153

	x	y	z	Total
	1.466	-1.175	0.000	1.879
CHELPG
AIM
ESP

	x	y	z
x	2.761	-0.526	0.000
y	-0.526	9.090	0.000
z	0.000	0.000	2.792

<r²>	41.831
(<r²>)^1/2	6.468

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)