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	hartrees
Energy at 0K	-132.472362
Energy at 298.15K	-132.474922
HF Energy	-132.472362
Nuclear repulsion energy	60.820183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3070	2.40
2	A'	3162	3024	8.72
3	A'	2053	1964	193.87
4	A'	1528	1462	5.65
5	A'	1245	1191	6.83
6	A'	886	848	413.10
7	A'	780	746	116.40
8	A'	498	476	25.49
9	A"	3321	3176	5.53
10	A"	1175	1124	5.37
11	A"	972	930	9.93
12	A"	371	355	8.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	-1.174	0.000
N2	0.000	0.099	0.000
C3	-0.311	1.283	0.000
H4	0.226	-1.710	0.938
H5	0.226	-1.710	-0.938
H6	0.438	2.078	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2839	2.5024	1.0820	1.0820	3.2644
N2	1.2839		1.2238	2.0505	2.0505	2.0272
C3	2.5024	1.2238		3.1821	3.1821	1.0931
H4	1.0820	2.0505	3.1821		1.8757	3.9087
H5	1.0820	2.0505	3.1821	1.8757		3.9087
H6	3.2644	2.0272	1.0931	3.9087	3.9087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.548	N2	C1	H4	119.913
N2	C1	H5	119.913	N2	C3	H6	121.980
H4	C1	H5	120.172

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/6-31G

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	-0.207
2	N	-0.293
3	C	-0.052
4	H	0.188
5	H	0.188
6	H	0.176

	x	y	z	Total
	1.487	-0.604	0.000	1.605
CHELPG
AIM
ESP

	x	y	z
x	2.184	-1.088	0.000
y	-1.088	8.663	0.000
z	0.000	0.000	2.436

<r²>	42.263
(<r²>)^1/2	6.501

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)