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	hartrees
Energy at 0K	-132.726204
Energy at 298.15K	-132.728732
HF Energy	-132.726204
Nuclear repulsion energy	61.280589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3036	1.56
2	A'	3091	2990	3.30
3	A'	1993	1928	263.83
4	A'	1500	1452	3.91
5	A'	1231	1191	7.67
6	A'	909	880	374.47
7	A'	733	710	77.79
8	A'	489	473	32.14
9	A"	3241	3135	1.22
10	A"	1145	1108	7.19
11	A"	964	933	10.81
12	A"	350	339	4.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.088	-1.172	0.000
N2	0.000	0.100	0.000
C3	-0.230	1.291	0.000
H4	0.123	-1.703	0.940
H5	0.123	-1.703	-0.940
H6	0.608	1.988	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2744	2.4833	1.0802	1.0802	3.2024
N2	1.2744		1.2135	2.0367	2.0367	1.9840
C3	2.4833	1.2135		3.1580	3.1580	1.0904
H4	1.0802	2.0367	3.1580		1.8797	3.8398
H5	1.0802	2.0367	3.1580	1.8797		3.8398
H6	3.2024	1.9840	1.0904	3.8398	3.8398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.020	N2	C1	H4	119.533
N2	C1	H5	119.533	N2	C3	H6	118.798
H4	C1	H5	120.933

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/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	-0.604
2	N	0.054
3	C	-0.553
4	H	0.371
5	H	0.371
6	H	0.361

	x	y	z	Total
	1.344	-1.009	0.000	1.680
CHELPG
AIM
ESP

	x	y	z
x	4.226	-0.898	0.000
y	-0.898	10.202	0.000
z	0.000	0.000	3.900

<r²>	42.109
(<r²>)^1/2	6.489

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)