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	hartrees
Energy at 0K	-132.657329
Energy at 298.15K	-132.659909
HF Energy	-132.657329
Nuclear repulsion energy	61.401024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3012	5.68
2	A'	3125	2986	0.18
3	A'	2011	1922	316.79
4	A'	1511	1444	2.77
5	A'	1251	1196	9.87
6	A'	909	869	394.35
7	A'	780	745	73.31
8	A'	507	485	42.53
9	A"	3262	3117	0.08
10	A"	1154	1103	7.81
11	A"	981	938	11.37
12	A"	364	348	4.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	-1.170	0.000
N2	0.000	0.099	0.000
C3	-0.182	1.299	0.000
H4	0.061	-1.698	0.942
H5	0.061	-1.698	-0.942
H6	0.703	1.936	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2698	2.4792	1.0795	1.0795	3.1755
N2	1.2698		1.2136	2.0294	2.0294	1.9674
C3	2.4792	1.2136		3.1504	3.1504	1.0912
H4	1.0795	2.0294	3.1504		1.8832	3.8085
H5	1.0795	2.0294	3.1504	1.8832		3.8085
H6	3.1755	1.9674	1.0912	3.8085	3.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.374	N2	C1	H4	119.278
N2	C1	H5	119.278	N2	C3	H6	117.117
H4	C1	H5	121.444

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.682
2	N	0.208
3	C	-0.648
4	H	0.363
5	H	0.363
6	H	0.396

	x	y	z	Total
	1.377	-1.223	0.000	1.842
CHELPG
AIM
ESP

	x	y	z
x	4.081	-0.667	0.000
y	-0.667	10.141	0.000
z	0.000	0.000	3.830

<r²>	41.879
(<r²>)^1/2	6.471

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)