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	hartrees
Energy at 0K	-131.934544
Energy at 298.15K	-131.937023
HF Energy	-131.934544
Nuclear repulsion energy	61.181210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	3047	8.04
2	A'	3074	3025	1.97
3	A'	2085	2051	175.66
4	A'	1434	1412	4.17
5	A'	1228	1208	7.50
6	A'	875	861	289.36
7	A'	637	627	74.05
8	A'	499	491	25.54
9	A"	3203	3152	0.03
10	A"	1088	1071	2.79
11	A"	924	909	10.08
12	A"	374	368	2.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.104	-1.170	0.000
N2	0.000	0.099	0.000
C3	-0.248	1.286	0.000
H4	0.146	-1.706	0.950
H5	0.146	-1.706	-0.950
H6	0.571	2.022	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2734	2.4808	1.0916	1.0916	3.2261
N2	1.2734		1.2122	2.0452	2.0452	2.0058
C3	2.4808	1.2122		3.1637	3.1637	1.1008
H4	1.0916	2.0452	3.1637		1.8998	3.8706
H5	1.0916	2.0452	3.1637	1.8998		3.8706
H6	3.2261	2.0058	1.1008	3.8706	3.8706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.884	N2	C1	H4	119.517
N2	C1	H5	119.517	N2	C3	H6	120.192
H4	C1	H5	120.966

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: LSDA/6-31G(2df,p)

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	-0.402
2	N	0.233
3	C	-0.345
4	H	0.167
5	H	0.167
6	H	0.180

	x	y	z	Total
	1.226	-0.792	0.000	1.460
CHELPG
AIM
ESP

	x	y	z
x	2.645	-0.584	0.000
y	-0.584	8.686	0.000
z	0.000	0.000	2.949

<r²>	41.725
(<r²>)^1/2	6.460

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)