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	hartrees
Energy at 0K	-132.688024
Energy at 298.15K	-132.690469
HF Energy	-132.688024
Nuclear repulsion energy	60.772528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3070	3070	1.02
2	A'	3012	3012	8.56
3	A'	1945	1945	210.44
4	A'	1454	1454	4.22
5	A'	1188	1188	6.51
6	A'	900	900	324.07
7	A'	659	659	81.99
8	A'	471	471	22.93
9	A"	3170	3170	1.81
10	A"	1110	1110	5.69
11	A"	930	930	10.07
12	A"	345	345	3.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	-1.175	0.000
N2	0.000	0.102	0.000
C3	-0.315	1.284	0.000
H4	0.224	-1.707	0.945
H5	0.224	-1.707	-0.945
H6	0.473	2.048	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2876	2.5044	1.0865	1.0865	3.2382
N2	1.2876		1.2225	2.0536	2.0536	2.0023
C3	2.5044	1.2225		3.1823	3.1823	1.0973
H4	1.0865	2.0536	3.1823		1.8908	3.8801
H5	1.0865	2.0536	3.1823	1.8908		3.8801
H6	3.2382	2.0023	1.0973	3.8801	3.8801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.274	N2	C1	H4	119.524
N2	C1	H5	119.524	N2	C3	H6	119.243
H4	C1	H5	120.950

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: BLYP/Def2TZVPP

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	-0.208
2	N	0.070
3	C	-0.238
4	H	0.120
5	H	0.120
6	H	0.134

	x	y	z	Total
	1.327	-0.833	0.000	1.567
CHELPG
AIM
ESP

	x	y	z
x	3.762	-1.153	0.000
y	-1.153	9.800	0.000
z	0.000	0.000	3.441

<r²>	42.653
(<r²>)^1/2	6.531

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)