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	hartrees
Energy at 0K	-132.682174
Energy at 298.15K	-132.684624
HF Energy	-132.682174
Nuclear repulsion energy	60.790743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3063	3046	1.06
2	A'	3007	2990	5.93
3	A'	1947	1936	220.34
4	A'	1453	1445	4.52
5	A'	1189	1182	5.86
6	A'	898	893	330.56
7	A'	661	657	82.41
8	A'	470	468	25.58
9	A"	3161	3144	1.33
10	A"	1112	1106	6.13
11	A"	930	925	11.08
12	A"	345	343	4.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.151	-1.176	0.000
N2	0.000	0.102	0.000
C3	-0.302	1.286	0.000
H4	0.209	-1.709	0.945
H5	0.209	-1.709	-0.945
H6	0.491	2.045	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2873	2.5036	1.0863	1.0863	3.2387
N2	1.2873		1.2218	2.0532	2.0532	2.0034
C3	2.5036	1.2218		3.1815	3.1815	1.0971
H4	1.0863	2.0532	3.1815		1.8905	3.8806
H5	1.0863	2.0532	3.1815	1.8905		3.8806
H6	3.2387	2.0034	1.0971	3.8806	3.8806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.413	N2	C1	H4	119.527
N2	C1	H5	119.527	N2	C3	H6	119.429
H4	C1	H5	120.943

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: BLYP/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	-0.073
2	N	-0.445
3	C	-0.006
4	H	0.170
5	H	0.170
6	H	0.183

	x	y	z	Total
	1.321	-0.847	0.000	1.570
CHELPG
AIM
ESP

	x	y	z
x	4.362	-1.271	0.000
y	-1.271	10.226	0.000
z	0.000	0.000	3.821

<r²>	42.724
(<r²>)^1/2	6.536

All results from a given calculation for H2CNCH (methyleneaminomethylene)

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

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)