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	hartrees
Energy at 0K	-131.929849
Energy at 298.15K	-131.932301
HF Energy	-131.929849
Nuclear repulsion energy	60.820330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3051	8.64
2	A'	3064	3031	0.83
3	A'	2072	2049	210.54
4	A'	1407	1392	4.55
5	A'	1218	1205	8.34
6	A'	855	846	293.91
7	A'	625	618	85.35
8	A'	492	486	25.64
9	A"	3200	3165	0.31
10	A"	1064	1052	2.70
11	A"	907	897	12.78
12	A"	369	365	2.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.115	-1.176	0.000
N2	0.000	0.100	0.000
C3	-0.262	1.290	0.000
H4	0.163	-1.713	0.959
H5	0.163	-1.713	-0.959
H6	0.557	2.039	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2808	2.4946	1.1001	1.1001	3.2444
N2	1.2808		1.2188	2.0572	2.0572	2.0170
C3	2.4946	1.2188		3.1809	3.1809	1.1093
H4	1.1001	2.0572	3.1809		1.9176	3.8919
H5	1.1001	2.0572	3.1809	1.9176		3.8919
H6	3.2444	2.0170	1.1093	3.8919	3.8919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.733	N2	C1	H4	119.355
N2	C1	H5	119.355	N2	C3	H6	120.002
H4	C1	H5	121.290

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: LSDA/cc-pVDZ

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	-0.174
2	N	0.098
3	C	-0.208
4	H	0.089
5	H	0.089
6	H	0.105

	x	y	z	Total
	1.320	-0.742	0.000	1.514
CHELPG
AIM
ESP

	x	y	z
x	2.577	-0.723	0.000
y	-0.723	8.898	0.000
z	0.000	0.000	2.803

<r²>	42.205
(<r²>)^1/2	6.497

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)