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	hartrees
Energy at 0K	-131.773597
Energy at 298.15K	-131.776265
HF Energy	-131.773597
Nuclear repulsion energy	61.039578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	2993	1.10
2	A'	3223	2900	39.57
3	A'	2016	1814	188.89
4	A'	1662	1496	3.05
5	A'	1268	1141	3.21
6	A'	1053	947	96.49
7	A'	1029	926	498.73
8	A'	514	462	42.41
9	A"	3443	3098	18.38
10	A"	1291	1162	12.21
11	A"	1068	961	10.45
12	A"	345	310	11.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.035	-1.172	0.000
N2	0.000	0.089	0.000
C3	-0.089	1.328	0.000
H4	-0.053	-1.715	0.926
H5	-0.053	-1.715	-0.926
H6	0.853	1.876	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2616	2.5005	1.0732	1.0732	3.1755
N2	1.2616		1.2421	2.0281	2.0281	1.9809
C3	2.5005	1.2421		3.1805	3.1805	1.0909
H4	1.0732	2.0281	3.1805		1.8513	3.8179
H5	1.0732	2.0281	3.1805	1.8513		3.8179
H6	3.1755	1.9809	1.0909	3.8179	3.8179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	174.272	N2	C1	H4	120.395
N2	C1	H5	120.395	N2	C3	H6	116.070
H4	C1	H5	119.209

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HF/LANL2DZ

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	-0.334
2	N	-0.055
3	C	-0.188
4	H	0.209
5	H	0.209
6	H	0.159

	x	y	z	Total
	1.840	-1.847	0.000	2.607
CHELPG
AIM
ESP

	x	y	z
x	2.091	0.030	0.000
y	0.030	9.515	0.000
z	0.000	0.000	2.498

<r²>	42.520
(<r²>)^1/2	6.521

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)