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	hartrees
Energy at 0K	-132.619315
Energy at 298.15K	-132.621839
HF Energy	-132.619315
Nuclear repulsion energy	61.029449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3038	1.44
2	A'	3105	2976	15.19
3	A'	2044	1959	194.89
4	A'	1507	1444	1.81
5	A'	1247	1195	9.50
6	A'	924	886	326.95
7	A'	717	687	82.45
8	A'	497	477	23.69
9	A"	3278	3142	2.97
10	A"	1142	1095	5.57
11	A"	968	927	8.59
12	A"	357	342	3.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.146	-1.169	0.000
N2	0.000	0.100	0.000
C3	-0.301	1.284	0.000
H4	0.208	-1.700	0.943
H5	0.208	-1.700	-0.943
H6	0.517	2.014	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2768	2.4933	1.0843	1.0843	3.2045
N2	1.2768		1.2222	2.0426	2.0426	1.9829
C3	2.4933	1.2222		3.1709	3.1709	1.0963
H4	1.0843	2.0426	3.1709		1.8863	3.8445
H5	1.0843	2.0426	3.1709	1.8863		3.8445
H6	3.2045	1.9829	1.0963	3.8445	3.8445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.288	N2	C1	H4	119.562
N2	C1	H5	119.562	N2	C3	H6	117.480
H4	C1	H5	120.877

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/6-31G**

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	-0.204
2	N	-0.136
3	C	-0.115
4	H	0.154
5	H	0.154
6	H	0.148

	x	y	z	Total
	1.396	-0.898	0.000	1.660
CHELPG
AIM
ESP

	x	y	z
x	2.378	-0.852	0.000
y	-0.852	8.613	0.000
z	0.000	0.000	2.626

<r²>	41.805
(<r²>)^1/2	6.466

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)