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	hartrees
Energy at 0K	-131.957807
Energy at 298.15K	-131.960266
HF Energy	-131.957807
Nuclear repulsion energy	61.160215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	3046	4.91
2	A'	3057	3028	1.16
3	A'	2061	2041	222.92
4	A'	1434	1420	6.30
5	A'	1227	1215	8.70
6	A'	873	865	316.95
7	A'	621	615	100.60
8	A'	493	488	29.98
9	A"	3180	3149	0.09
10	A"	1094	1083	2.20
11	A"	921	912	13.34
12	A"	371	368	3.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	-1.174	0.000
N2	0.000	0.100	0.000
C3	-0.207	1.293	0.000
H4	0.095	-1.711	0.951
H5	0.095	-1.711	-0.951
H6	0.635	2.001	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2756	2.4824	1.0921	1.0921	3.2243
N2	1.2756		1.2111	2.0473	2.0473	2.0040
C3	2.4824	1.2111		3.1653	3.1653	1.1001
H4	1.0921	2.0473	3.1653		1.9011	3.8690
H5	1.0921	2.0473	3.1653	1.9011		3.8690
H6	3.2243	2.0040	1.1001	3.8690	3.8690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.277	N2	C1	H4	119.493
N2	C1	H5	119.493	N2	C3	H6	120.161
H4	C1	H5	121.012

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: SVWN/6-311G*

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	-0.443
2	N	-0.084
3	C	-0.219
4	H	0.252
5	H	0.252
6	H	0.243

	x	y	z	Total
	1.357	-0.823	0.000	1.587
CHELPG
AIM
ESP

	x	y	z
x	2.739	-0.595	0.000
y	-0.595	9.010	0.000
z	0.000	0.000	2.832

<r²>	41.971
(<r²>)^1/2	6.479

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: SVWN/6-311G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)