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	hartrees
Energy at 0K	-132.536466
Energy at 298.15K	-132.538900
HF Energy	-132.536466
Nuclear repulsion energy	60.698947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3077	3045	0.58
2	A'	3020	2988	14.89
3	A'	1985	1964	187.54
4	A'	1446	1431	3.93
5	A'	1203	1191	7.96
6	A'	910	901	307.97
7	A'	619	612	94.93
8	A'	476	471	19.93
9	A"	3180	3147	3.17
10	A"	1108	1096	4.18
11	A"	930	920	11.19
12	A"	350	346	3.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.174	-1.173	0.000
N2	0.000	0.102	0.000
C3	-0.333	1.281	0.000
H4	0.244	-1.705	0.950
H5	0.244	-1.705	-0.950
H6	0.462	2.046	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2865	2.5060	1.0910	1.0910	3.2312
N2	1.2865		1.2256	2.0558	2.0558	1.9978
C3	2.5060	1.2256		3.1864	3.1864	1.1023
H4	1.0910	2.0558	3.1864		1.8996	3.8751
H5	1.0910	2.0558	3.1864	1.8996		3.8751
H6	3.2312	1.9978	1.1023	3.8751	3.8751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.040	N2	C1	H4	119.473
N2	C1	H5	119.473	N2	C3	H6	118.144
H4	C1	H5	121.054

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/6-311G*

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	-0.393
2	N	-0.082
3	C	-0.203
4	H	0.230
5	H	0.230
6	H	0.219

	x	y	z	Total
	1.409	-0.820	0.000	1.631
CHELPG
AIM
ESP

	x	y	z
x	2.922	-1.126	0.000
y	-1.126	8.937	0.000
z	0.000	0.000	2.837

<r²>	42.419
(<r²>)^1/2	6.513

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)