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	hartrees
Energy at 0K	-132.550370
Energy at 298.15K	-132.552906
HF Energy	-132.550370
Nuclear repulsion energy	61.351155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3035	3.12
2	A'	3118	2992	3.78
3	A'	2039	1957	275.67
4	A'	1501	1441	4.16
5	A'	1251	1200	8.80
6	A'	890	854	380.99
7	A'	742	712	94.19
8	A'	492	472	32.02
9	A"	3271	3139	0.77
10	A"	1144	1098	5.49
11	A"	969	930	10.33
12	A"	358	344	4.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.111	-1.167	0.000
N2	0.000	0.099	0.000
C3	-0.259	1.284	0.000
H4	0.156	-1.697	0.942
H5	0.156	-1.697	-0.942
H6	0.572	1.994	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2710	2.4784	1.0826	1.0826	3.1944
N2	1.2710		1.2125	2.0350	2.0350	1.9794
C3	2.4784	1.2125		3.1542	3.1542	1.0928
H4	1.0826	2.0350	3.1542		1.8850	3.8329
H5	1.0826	2.0350	3.1542	1.8850		3.8329
H6	3.1944	1.9794	1.0928	3.8329	3.8329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.713	N2	C1	H4	119.475
N2	C1	H5	119.475	N2	C3	H6	118.230
H4	C1	H5	121.049

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/TZVP

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	-0.278
2	N	0.048
3	C	-0.202
4	H	0.148
5	H	0.148
6	H	0.137

	x	y	z	Total
	1.503	-0.983	0.000	1.796
CHELPG
AIM
ESP

	x	y	z
x	3.254	-0.981	0.000
y	-0.981	9.659	0.000
z	0.000	0.000	3.007

<r²>	41.866
(<r²>)^1/2	6.470

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/TZVP

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)