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	hartrees
Energy at 0K	-22.286344
Energy at 298.15K	-22.288895
HF Energy	-22.286344
Nuclear repulsion energy	32.630559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3323	2984	6.04
2	A'	3224	2895	65.29
3	A'	2013	1808	125.07
4	A'	1643	1476	0.04
5	A'	1275	1145	17.66
6	A'	1135	1020	266.66
7	A'	991	890	64.25
8	A'	490	440	26.32
9	A"	3429	3079	25.83
10	A"	1252	1124	15.99
11	A"	1058	950	10.08
12	A"	265	238	7.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	-1.171	0.000
N2	0.000	0.090	0.000
C3	-0.126	1.333	0.000
H4	-0.015	-1.712	0.937
H5	-0.015	-1.712	-0.937
H6	0.857	1.821	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2607	2.5063	1.0826	1.0826	3.1149
N2	1.2607		1.2495	2.0314	2.0314	1.9312
C3	2.5063	1.2495		3.1882	3.1882	1.0969
H4	1.0826	2.0314	3.1882		1.8748	3.7576
H5	1.0826	2.0314	3.1882	1.8748		3.7576
H6	3.1149	1.9312	1.0969	3.7576	3.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.672	N2	C1	H4	120.015
N2	C1	H5	120.015	N2	C3	H6	110.615
H4	C1	H5	119.969

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HF/CEP-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	-0.583
2	N	0.509
3	C	-0.494
4	H	0.204
5	H	0.204
6	H	0.160

	x	y	z	Total
	1.718	-2.168	0.000	2.766
CHELPG
AIM
ESP

	x	y	z
x	2.608	-0.083	0.000
y	-0.083	9.085	0.000
z	0.000	0.000	2.694

<r²>	35.877
(<r²>)^1/2	5.990

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)