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	hartrees
Energy at 0K	-132.518646
Energy at 298.15K	-132.521143
HF Energy	-132.376075
Nuclear repulsion energy	60.858764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3042	1.66
2	A'	3144	2984	16.48
3	A'	2030	1927	194.08
4	A'	1529	1451	1.92
5	A'	1233	1171	10.49
6	A'	929	882	375.65
7	A'	678	643	87.06
8	A'	491	466	22.09
9	A"	3312	3144	3.77
10	A"	1164	1105	5.94
11	A"	974	925	7.96
12	A"	356	338	3.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.203	-1.167	0.000
N2	0.000	0.101	0.000
C3	-0.365	1.270	0.000
H4	0.288	-1.692	0.942
H5	0.288	-1.692	-0.942
H6	0.398	2.053	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2844	2.5024	1.0822	1.0822	3.2255
N2	1.2844		1.2245	2.0463	2.0463	1.9915
C3	2.5024	1.2245		3.1764	3.1764	1.0930
H4	1.0822	2.0463	3.1764		1.8849	3.8631
H5	1.0822	2.0463	3.1764	1.8849		3.8631
H6	3.2255	1.9915	1.0930	3.8631	3.8631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.736	N2	C1	H4	119.444
N2	C1	H5	119.444	N2	C3	H6	118.375
H4	C1	H5	121.112

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/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	-0.276
2	N	-0.110
3	C	-0.143
4	H	0.178
5	H	0.178
6	H	0.172

	x	y	z	Total
	1.386	-0.739	0.000	1.571
CHELPG
AIM
ESP

	x	y	z
x	2.434	-1.229	0.000
y	-1.229	8.507	0.000
z	0.000	0.000	2.557

<r²>	42.110
(<r²>)^1/2	6.489

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)