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	hartrees
Energy at 0K	-132.518410
Energy at 298.15K	-132.520857
HF Energy	-132.518410
Nuclear repulsion energy	60.554387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	3062	2.52
2	A'	3042	3007	6.66
3	A'	1992	1969	215.93
4	A'	1443	1427	4.70
5	A'	1203	1190	6.66
6	A'	891	881	316.57
7	A'	652	645	105.78
8	A'	471	466	30.30
9	A"	3202	3166	0.81
10	A"	1097	1085	5.05
11	A"	924	913	11.68
12	A"	357	353	5.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.167	-1.177	0.000
N2	0.000	0.101	0.000
C3	-0.323	1.287	0.000
H4	0.229	-1.710	0.951
H5	0.229	-1.710	-0.951
H6	0.474	2.049	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2896	2.5131	1.0921	1.0921	3.2410
N2	1.2896		1.2293	2.0588	2.0588	2.0047
C3	2.5131	1.2293		3.1930	3.1930	1.1027
H4	1.0921	2.0588	3.1930		1.9025	3.8855
H5	1.0921	2.0588	3.1930	1.9025		3.8855
H6	3.2410	2.0047	1.1027	3.8855	3.8855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.230	N2	C1	H4	119.414
N2	C1	H5	119.414	N2	C3	H6	118.457
H4	C1	H5	121.165

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.386
2	N	0.099
3	C	-0.214
4	H	0.172
5	H	0.172
6	H	0.158

	x	y	z	Total
	1.478	-0.858	0.000	1.709
CHELPG
AIM
ESP

	x	y	z
x	3.742	-1.492	0.000
y	-1.492	9.969	0.000
z	0.000	0.000	3.133

<r²>	42.865
(<r²>)^1/2	6.547

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)