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	hartrees
Energy at 0K	-132.518414
Energy at 298.15K	-132.520862
HF Energy	-132.518414
Nuclear repulsion energy	60.554613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3098	3063	2.52
2	A'	3041	3007	6.65
3	A'	1993	1970	216.04
4	A'	1443	1427	4.69
5	A'	1204	1190	6.67
6	A'	891	881	316.81
7	A'	653	645	105.80
8	A'	472	466	30.23
9	A"	3203	3167	0.81
10	A"	1097	1085	5.05
11	A"	923	913	11.69
12	A"	357	353	5.21

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	3.2413
N2	1.2896		1.2293	2.0588	2.0588	2.0050
C3	2.5131	1.2293		3.1930	3.1930	1.1027
H4	1.0921	2.0588	3.1930		1.9026	3.8857
H5	1.0921	2.0588	3.1930	1.9026		3.8857
H6	3.2413	2.0050	1.1027	3.8857	3.8857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.231	N2	C1	H4	119.411
N2	C1	H5	119.411	N2	C3	H6	118.484
H4	C1	H5	121.172

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/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	-0.856	0.000	1.708
CHELPG
AIM
ESP

	x	y	z
x	3.741	-1.491	0.000
y	-1.491	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: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)