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	hartrees
Energy at 0K	-132.556229
Energy at 298.15K	-132.558687
HF Energy	-132.556229
Nuclear repulsion energy	60.853668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3078	3056	1.93
2	A'	3025	3004	6.68
3	A'	1984	1971	209.36
4	A'	1438	1428	4.40
5	A'	1200	1192	6.11
6	A'	885	879	312.72
7	A'	646	641	80.19
8	A'	480	476	24.24
9	A"	3180	3158	1.07
10	A"	1096	1089	4.88
11	A"	926	920	11.18
12	A"	355	353	3.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.154	-1.174	0.000
N2	0.000	0.102	0.000
C3	-0.307	1.283	0.000
H4	0.215	-1.704	0.948
H5	0.215	-1.704	-0.948
H6	0.488	2.043	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2844	2.4993	1.0886	1.0886	3.2335
N2	1.2844		1.2205	2.0511	2.0511	2.0014
C3	2.4993	1.2205		3.1773	3.1773	1.0994
H4	1.0886	2.0511	3.1773		1.8969	3.8748
H5	1.0886	2.0511	3.1773	1.8969		3.8748
H6	3.2335	2.0014	1.0994	3.8748	3.8748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.324	N2	C1	H4	119.392
N2	C1	H5	119.392	N2	C3	H6	119.154
H4	C1	H5	121.214

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/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	-0.217
2	N	0.081
3	C	-0.212
4	H	0.113
5	H	0.113
6	H	0.122

	x	y	z	Total
	1.307	-0.803	0.000	1.534
CHELPG
AIM
ESP

	x	y	z
x	3.418	-1.018	0.000
y	-1.018	9.384	0.000
z	0.000	0.000	3.288

<r²>	42.334
(<r²>)^1/2	6.506

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)