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	hartrees
Energy at 0K	-132.603113
Energy at 298.15K	-132.605621
HF Energy	-132.427834
Nuclear repulsion energy	61.190280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3167	2.99
2	A'	3134	3134	1.36
3	A'	2006	2006	288.03
4	A'	1502	1502	4.79
5	A'	1221	1221	7.00
6	A'	883	883	428.65
7	A'	696	696	88.61
8	A'	489	489	36.46
9	A"	3278	3278	0.48
10	A"	1150	1150	7.09
11	A"	963	963	11.04
12	A"	357	357	4.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.124	-1.173	0.000
N2	0.000	0.101	0.000
C3	-0.269	1.284	0.000
H4	0.170	-1.698	0.941
H5	0.170	-1.698	-0.941
H6	0.530	2.022	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2803	2.4885	1.0783	1.0783	3.2207
N2	1.2803		1.2132	2.0372	2.0372	1.9925
C3	2.4885	1.2132		3.1575	3.1575	1.0878
H4	1.0783	2.0372	3.1575		1.8819	3.8537
H5	1.0783	2.0372	3.1575	1.8819		3.8537
H6	3.2207	1.9925	1.0878	3.8537	3.8537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.744	N2	C1	H4	119.233
N2	C1	H5	119.233	N2	C3	H6	119.883
H4	C1	H5	121.531

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	-0.015
2	N	-0.544
3	C	0.036
4	H	0.168
5	H	0.168
6	H	0.188

	x	y	z	Total
	1.336	-0.824	0.000	1.569
CHELPG
AIM
ESP

	x	y	z
x	4.180	-1.210	0.000
y	-1.210	10.168	0.000
z	0.000	0.000	3.696

<r²>	42.235
(<r²>)^1/2	6.499

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)