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	hartrees
Energy at 0K	-132.604308
Energy at 298.15K	-132.606821
HF Energy	-132.428870
Nuclear repulsion energy	61.175883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3041	2.69
2	A'	3133	3006	3.50
3	A'	2009	1927	263.40
4	A'	1503	1442	4.28
5	A'	1220	1170	7.67
6	A'	887	851	415.00
7	A'	694	666	84.91
8	A'	491	471	31.76
9	A"	3281	3148	1.08
10	A"	1150	1103	6.43
11	A"	965	926	10.87
12	A"	358	343	3.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.129	-1.173	0.000
N2	0.000	0.101	0.000
C3	-0.276	1.283	0.000
H4	0.179	-1.697	0.941
H5	0.179	-1.697	-0.941
H6	0.522	2.022	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2806	2.4895	1.0779	1.0779	3.2191
N2	1.2806		1.2140	2.0371	2.0371	1.9906
C3	2.4895	1.2140		3.1580	3.1580	1.0876
H4	1.0779	2.0371	3.1580		1.8816	3.8513
H5	1.0779	2.0371	3.1580	1.8816		3.8513
H6	3.2191	1.9906	1.0876	3.8513	3.8513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.654	N2	C1	H4	119.218
N2	C1	H5	119.218	N2	C3	H6	119.637
H4	C1	H5	121.563

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/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	-0.239
2	N	0.073
3	C	-0.238
4	H	0.127
5	H	0.127
6	H	0.150

	x	y	z	Total
	1.323	-0.789	0.000	1.540
CHELPG
AIM
ESP

	x	y	z
x	3.325	-0.991	0.000
y	-0.991	9.440	0.000
z	0.000	0.000	3.188

<r²>	42.066
(<r²>)^1/2	6.486

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)