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	hartrees
Energy at 0K	-132.555727
Energy at 298.15K	-132.558320
HF Energy	-132.555727
Nuclear repulsion energy	60.871348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3211	6.02
2	A'	3158	3158	3.90
3	A'	2047	2047	229.96
4	A'	1538	1538	4.46
5	A'	1252	1252	7.93
6	A'	867	867	474.61
7	A'	832	832	106.41
8	A'	508	508	33.38
9	A"	3321	3321	3.85
10	A"	1187	1187	6.34
11	A"	977	977	10.28
12	A"	381	381	8.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.122	-1.178	0.000
N2	0.000	0.098	0.000
C3	-0.265	1.293	0.000
H4	0.169	-1.713	0.938
H5	0.169	-1.713	-0.938
H6	0.522	2.050	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2823	2.5014	1.0804	1.0804	3.2533
N2	1.2823		1.2239	2.0466	2.0466	2.0207
C3	2.5014	1.2239		3.1787	3.1787	1.0928
H4	1.0804	2.0466	3.1787		1.8751	3.8944
H5	1.0804	2.0466	3.1787	1.8751		3.8944
H6	3.2533	2.0207	1.0928	3.8944	3.8944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.931	N2	C1	H4	119.796
N2	C1	H5	119.796	N2	C3	H6	121.339
H4	C1	H5	120.406

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/6-31G

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	-0.177
2	N	-0.306
3	C	-0.049
4	H	0.181
5	H	0.181
6	H	0.170

	x	y	z	Total
	1.540	-0.742	0.000	1.709
CHELPG
AIM
ESP

	x	y	z
x	2.098	-0.863	0.000
y	-0.863	8.853	0.000
z	0.000	0.000	2.431

<r²>	42.265
(<r²>)^1/2	6.501

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)