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	hartrees
Energy at 0K	-132.680935
Energy at 298.15K	-132.683446
HF Energy	-132.680935
Nuclear repulsion energy	60.844372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3034	0.36
2	A'	3075	2948	25.65
3	A'	2009	1926	165.92
4	A'	1514	1452	1.34
5	A'	1231	1180	9.31
6	A'	952	912	313.26
7	A'	703	674	82.05
8	A'	489	469	20.15
9	A"	3272	3137	4.91
10	A"	1147	1100	6.91
11	A"	970	930	7.86
12	A"	351	336	4.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.204	-1.164	0.000
N2	0.000	0.100	0.000
C3	-0.370	1.272	0.000
H4	0.290	-1.691	0.943
H5	0.290	-1.691	-0.943
H6	0.417	2.036	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2810	2.5027	1.0836	1.0836	3.2078
N2	1.2810		1.2284	2.0451	2.0451	1.9804
C3	2.5027	1.2284		3.1785	3.1785	1.0974
H4	1.0836	2.0451	3.1785		1.8860	3.8470
H5	1.0836	2.0451	3.1785	1.8860		3.8470
H6	3.2078	1.9804	1.0974	3.8470	3.8470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.623	N2	C1	H4	119.511
N2	C1	H5	119.511	N2	C3	H6	116.634
H4	C1	H5	120.978

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/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	-0.189
2	N	-0.144
3	C	-0.109
4	H	0.150
5	H	0.150
6	H	0.142

	x	y	z	Total
	1.431	-0.907	0.000	1.694
CHELPG
AIM
ESP

	x	y	z
x	2.495	-1.142	0.000
y	-1.142	8.523	0.000
z	0.000	0.000	2.637

<r²>	41.997
(<r²>)^1/2	6.480

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/6-31G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)