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	hartrees
Energy at 0K	-132.689224
Energy at 298.15K	-132.691740
HF Energy	-132.689224
Nuclear repulsion energy	61.019136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3040	0.65
2	A'	3068	2961	18.88
3	A'	2005	1934	161.00
4	A'	1506	1454	1.59
5	A'	1226	1184	8.24
6	A'	948	915	315.16
7	A'	705	680	71.45
8	A'	490	472	21.18
9	A"	3257	3143	3.13
10	A"	1149	1108	6.84
11	A"	972	938	8.12
12	A"	350	337	3.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.190	-1.162	0.000
N2	0.000	0.100	0.000
C3	-0.354	1.271	0.000
H4	0.271	-1.690	0.943
H5	0.271	-1.690	-0.943
H6	0.440	2.028	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2765	2.4940	1.0831	1.0831	3.2004
N2	1.2765		1.2239	2.0409	2.0409	1.9780
C3	2.4940	1.2239		3.1700	3.1700	1.0973
H4	1.0831	2.0409	3.1700		1.8850	3.8395
H5	1.0831	2.0409	3.1700	1.8850		3.8395
H6	3.2004	1.9780	1.0973	3.8395	3.8395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.759	N2	C1	H4	119.520
N2	C1	H5	119.520	N2	C3	H6	116.784
H4	C1	H5	120.960

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.321
2	N	0.113
3	C	-0.283
4	H	0.161
5	H	0.161
6	H	0.169

	x	y	z	Total
	1.373	-0.972	0.000	1.682
CHELPG
AIM
ESP

	x	y	z
x	2.806	-1.029	0.000
y	-1.029	8.615	0.000
z	0.000	0.000	2.923

<r²>	41.816
(<r²>)^1/2	6.466

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)