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	hartrees
Energy at 0K	-132.632048
Energy at 298.15K	-132.634568
HF Energy	-132.632048
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3032	1.24
2	A'	3113	2980	3.68
3	A'	2004	1918	285.40
4	A'	1508	1443	3.07
5	A'	1242	1189	10.47
6	A'	920	881	372.00
7	A'	772	739	76.24
8	A'	480	459	36.95
9	A"	3288	3148	1.51
10	A"	1150	1100	8.95
11	A"	972	931	11.35
12	A"	332	317	4.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.094	-1.174	0.000
N2	0.000	0.098	0.000
C3	-0.244	1.299	0.000
H4	0.134	-1.704	0.950
H5	0.134	-1.704	-0.950
H6	0.629	1.970	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2752	2.4954	1.0884	1.0884	3.1884
N2	1.2752		1.2253	2.0413	2.0413	1.9745
C3	2.4954	1.2253		3.1719	3.1719	1.1014
H4	1.0884	2.0413	3.1719		1.8992	3.8264
H5	1.0884	2.0413	3.1719	1.8992		3.8264
H6	3.1884	1.9745	1.1014	3.8264	3.8264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.753	N2	C1	H4	119.251
N2	C1	H5	119.251	N2	C3	H6	116.026
H4	C1	H5	121.498

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/aug-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	0.574
2	N	0.127
3	C	-0.015
4	H	-0.245
5	H	-0.245
6	H	-0.195

	x	y	z	Total
	1.469	-1.248	0.000	1.927
CHELPG
AIM
ESP

	x	y	z
x	4.143	-0.929	0.000
y	-0.929	10.197	0.000
z	0.000	0.000	3.838

<r²>	42.227
(<r²>)^1/2	6.498

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)