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	hartrees
Energy at 0K	-131.982393
Energy at 298.15K	-131.984868
HF Energy	-131.982393
Nuclear repulsion energy	61.304156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3079	3054	6.72
2	A'	3066	3042	1.67
3	A'	2052	2036	262.64
4	A'	1423	1412	6.61
5	A'	1222	1213	6.11
6	A'	844	837	327.05
7	A'	648	642	81.44
8	A'	493	489	38.25
9	A"	3183	3158	0.31
10	A"	1078	1070	3.90
11	A"	913	906	12.45
12	A"	374	371	4.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	-1.172	0.000
N2	0.000	0.100	0.000
C3	-0.205	1.289	0.000
H4	0.094	-1.706	0.949
H5	0.094	-1.706	-0.949
H6	0.621	2.012	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2735	2.4760	1.0896	1.0896	3.2307
N2	1.2735		1.2066	2.0423	2.0423	2.0100
C3	2.4760	1.2066		3.1560	3.1560	1.0972
H4	1.0896	2.0423	3.1560		1.8987	3.8728
H5	1.0896	2.0423	3.1560	1.8987		3.8728
H6	3.2307	2.0100	1.0972	3.8728	3.8728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.375	N2	C1	H4	119.390
N2	C1	H5	119.390	N2	C3	H6	121.427
H4	C1	H5	121.218

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: SVWN/aug-cc-pVTZ

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	-0.558
2	N	0.102
3	C	-0.530
4	H	0.323
5	H	0.323
6	H	0.340

	x	y	z	Total
	1.250	-0.792	0.000	1.480
CHELPG
AIM
ESP

	x	y	z
x	4.244	-0.785	0.000
y	-0.785	10.208	0.000
z	0.000	0.000	3.969

<r²>	42.041
(<r²>)^1/2	6.484

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)