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	hartrees
Energy at 0K	-132.624374
Energy at 298.15K	-132.626896
HF Energy	-132.624374
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3016	1.97
2	A'	3113	2966	8.17
3	A'	2024	1928	253.84
4	A'	1499	1428	1.76
5	A'	1244	1185	11.01
6	A'	926	882	353.62
7	A'	750	714	74.38
8	A'	487	464	29.27
9	A"	3289	3133	0.97
10	A"	1146	1092	7.11
11	A"	975	928	11.31
12	A"	339	323	2.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.101	-1.173	0.000
N2	0.000	0.098	0.000
C3	-0.253	1.298	0.000
H4	0.145	-1.704	0.952
H5	0.145	-1.704	-0.952
H6	0.622	1.971	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2750	2.4957	1.0909	1.0909	3.1867
N2	1.2750		1.2258	2.0435	2.0435	1.9732
C3	2.4957	1.2258		3.1743	3.1743	1.1037
H4	1.0909	2.0435	3.1743		1.9033	3.8262
H5	1.0909	2.0435	3.1743	1.9033		3.8262
H6	3.1867	1.9732	1.1037	3.8262	3.8262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.627	N2	C1	H4	119.271
N2	C1	H5	119.271	N2	C3	H6	115.686
H4	C1	H5	121.458

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.079
2	N	0.015
3	C	-0.167
4	H	0.071
5	H	0.071
6	H	0.088

	x	y	z	Total
	1.480	-1.127	0.000	1.860
CHELPG
AIM
ESP

	x	y	z
x	2.573	-0.669	0.000
y	-0.669	9.006	0.000
z	0.000	0.000	2.757

<r²>	41.973
(<r²>)^1/2	6.479

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)