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	hartrees
Energy at 0K	-132.685595
Energy at 298.15K	-132.688046
HF Energy	-132.685595
Nuclear repulsion energy	60.776197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3066	3056	1.05
2	A'	3009	2999	6.65
3	A'	1940	1933	216.07
4	A'	1452	1447	4.35
5	A'	1186	1182	6.00
6	A'	898	895	328.62
7	A'	660	658	79.74
8	A'	470	468	24.67
9	A"	3164	3153	1.49
10	A"	1109	1105	6.46
11	A"	929	926	10.53
12	A"	344	343	4.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	-1.175	0.000
N2	0.000	0.102	0.000
C3	-0.315	1.283	0.000
H4	0.225	-1.706	0.945
H5	0.225	-1.706	-0.945
H6	0.470	2.049	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2877	2.5044	1.0862	1.0862	3.2390
N2	1.2877		1.2224	2.0532	2.0532	2.0028
C3	2.5044	1.2224		3.1819	3.1819	1.0968
H4	1.0862	2.0532	3.1819		1.8906	3.8803
H5	1.0862	2.0532	3.1819	1.8906		3.8803
H6	3.2390	2.0028	1.0968	3.8803	3.8803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.272	N2	C1	H4	119.505
N2	C1	H5	119.505	N2	C3	H6	119.333
H4	C1	H5	120.989

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: BLYP/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	0.051
3	C	-0.498
4	H	0.338
5	H	0.338
6	H	0.328

	x	y	z	Total
	1.310	-0.836	0.000	1.554
CHELPG
AIM
ESP

	x	y	z
x	4.534	-1.267	0.000
y	-1.267	10.285	0.000
z	0.000	0.000	4.026

<r²>	42.731
(<r²>)^1/2	6.537

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)