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	hartrees
Energy at 0K	-132.538860
Energy at 298.15K	-132.541392
HF Energy	-132.538860
Nuclear repulsion energy	61.236502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3032	2.26
2	A'	3111	2985	5.45
3	A'	2037	1954	249.62
4	A'	1494	1434	3.52
5	A'	1248	1197	9.08
6	A'	896	860	364.96
7	A'	730	700	87.06
8	A'	496	476	31.61
9	A"	3270	3137	1.29
10	A"	1138	1092	5.54
11	A"	968	929	11.09
12	A"	356	341	4.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-1.171	0.000
N2	0.000	0.099	0.000
C3	-0.235	1.292	0.000
H4	0.126	-1.702	0.944
H5	0.126	-1.702	-0.944
H6	0.616	1.981	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2734	2.4843	1.0832	1.0832	3.1952
N2	1.2734		1.2157	2.0370	2.0370	1.9797
C3	2.4843	1.2157		3.1595	3.1595	1.0943
H4	1.0832	2.0370	3.1595		1.8872	3.8326
H5	1.0832	2.0370	3.1595	1.8872		3.8326
H6	3.1952	1.9797	1.0943	3.8326	3.8326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.921	N2	C1	H4	119.407
N2	C1	H5	119.407	N2	C3	H6	117.870
H4	C1	H5	121.186

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/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	-0.197
2	N	-0.125
3	C	-0.118
4	H	0.146
5	H	0.146
6	H	0.148

	x	y	z	Total
	1.433	-0.993	0.000	1.743
CHELPG
AIM
ESP

	x	y	z
x	2.797	-0.698	0.000
y	-0.698	9.053	0.000
z	0.000	0.000	2.821

<r²>	41.797
(<r²>)^1/2	6.465

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)