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	hartrees
Energy at 0K	-132.668120
Energy at 298.15K	-132.670556
HF Energy	-132.668120
Nuclear repulsion energy	60.607085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3062	3050	0.59
2	A'	2996	2984	13.59
3	A'	1948	1941	182.82
4	A'	1446	1440	4.06
5	A'	1186	1181	6.85
6	A'	895	891	314.43
7	A'	644	642	85.66
8	A'	470	468	18.98
9	A"	3162	3150	3.43
10	A"	1105	1101	5.07
11	A"	930	926	10.28
12	A"	343	341	3.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.173	-1.177	0.000
N2	0.000	0.103	0.000
C3	-0.330	1.284	0.000
H4	0.243	-1.708	0.947
H5	0.243	-1.708	-0.947
H6	0.456	2.054	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2910	2.5117	1.0886	1.0886	3.2429
N2	1.2910		1.2266	2.0582	2.0582	2.0038
C3	2.5117	1.2266		3.1906	3.1906	1.1003
H4	1.0886	2.0582	3.1906		1.8948	3.8855
H5	1.0886	2.0582	3.1906	1.8948		3.8855
H6	3.2429	2.0038	1.1003	3.8855	3.8855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.095	N2	C1	H4	119.508
N2	C1	H5	119.508	N2	C3	H6	118.788
H4	C1	H5	120.984

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: BLYP/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	-0.180
2	N	-0.080
3	C	-0.118
4	H	0.125
5	H	0.125
6	H	0.127

	x	y	z	Total
	1.358	-0.771	0.000	1.562
CHELPG
AIM
ESP

	x	y	z
x	2.959	-1.092	0.000
y	-1.092	9.016	0.000
z	0.000	0.000	2.893

<r²>	42.598
(<r²>)^1/2	6.527

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)