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	hartrees
Energy at 0K	-132.624732
Energy at 298.15K	-132.627286
HF Energy	-132.624732
Nuclear repulsion energy	61.021612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3160	5.82
2	A'	3120	3120	0.97
3	A'	2021	2021	298.52
4	A'	1497	1497	2.61
5	A'	1251	1251	10.88
6	A'	914	914	377.79
7	A'	783	783	75.23
8	A'	498	498	39.40
9	A"	3277	3277	0.21
10	A"	1137	1137	8.20
11	A"	964	964	11.97
12	A"	349	349	4.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.075	-1.175	0.000
N2	0.000	0.099	0.000
C3	-0.220	1.302	0.000
H4	0.106	-1.704	0.949
H5	0.106	-1.704	-0.949
H6	0.662	1.959	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2760	2.4943	1.0868	1.0868	3.1886
N2	1.2760		1.2230	2.0400	2.0400	1.9745
C3	2.4943	1.2230		3.1688	3.1688	1.0999
H4	1.0868	2.0400	3.1688		1.8976	3.8247
H5	1.0868	2.0400	3.1688	1.8976		3.8247
H6	3.1886	1.9745	1.0999	3.8247	3.8247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.985	N2	C1	H4	119.185
N2	C1	H5	119.185	N2	C3	H6	116.328
H4	C1	H5	121.629

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/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	0.724
2	N	0.155
3	C	0.061
4	H	-0.332
5	H	-0.332
6	H	-0.277

	x	y	z	Total
	1.422	-1.233	0.000	1.882
CHELPG
AIM
ESP

	x	y	z
x	4.041	-0.770	0.000
y	-0.770	10.106	0.000
z	0.000	0.000	3.757

<r²>	42.255
(<r²>)^1/2	6.500

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)