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	hartrees
Energy at 0K	-132.615489
Energy at 298.15K	-132.618011
HF Energy	-132.615489
Nuclear repulsion energy	61.041555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3050	3.07
2	A'	3109	2988	7.70
3	A'	2044	1964	232.67
4	A'	1481	1424	1.84
5	A'	1246	1197	9.56
6	A'	914	878	333.81
7	A'	720	692	74.83
8	A'	494	475	26.94
9	A"	3293	3165	0.82
10	A"	1128	1084	6.12
11	A"	960	923	10.69
12	A"	352	339	2.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.123	-1.170	0.000
N2	0.000	0.099	0.000
C3	-0.277	1.289	0.000
H4	0.177	-1.701	0.949
H5	0.177	-1.701	-0.949
H6	0.568	1.995	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2748	2.4910	1.0887	1.0887	3.1959
N2	1.2748		1.2216	2.0422	2.0422	1.9794
C3	2.4910	1.2216		3.1691	3.1691	1.1018
H4	1.0887	2.0422	3.1691		1.8982	3.8355
H5	1.0887	2.0422	3.1691	1.8982		3.8355
H6	3.1959	1.9794	1.1018	3.8355	3.8355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.443	N2	C1	H4	119.340
N2	C1	H5	119.340	N2	C3	H6	116.752
H4	C1	H5	121.320

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B1B95/cc-pVDZ

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	-0.054
2	N	0.005
3	C	-0.147
4	H	0.059
5	H	0.059
6	H	0.078

	x	y	z	Total
	1.417	-0.985	0.000	1.725
CHELPG
AIM
ESP

	x	y	z
x	2.590	-0.768	0.000
y	-0.768	8.855	0.000
z	0.000	0.000	2.742

<r²>	41.887
(<r²>)^1/2	6.472

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)