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	hartrees
Energy at 0K	-132.553642
Energy at 298.15K	-132.556187
HF Energy	-132.553642
Nuclear repulsion energy	61.381777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3034	2.43
2	A'	3112	2991	3.80
3	A'	2034	1955	264.90
4	A'	1498	1439	3.53
5	A'	1247	1199	8.40
6	A'	901	866	367.37
7	A'	736	708	78.04
8	A'	499	480	34.13
9	A"	3265	3137	1.03
10	A"	1141	1097	6.05
11	A"	968	930	11.38
12	A"	359	345	3.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.081	-1.169	0.000
N2	0.000	0.099	0.000
C3	-0.223	1.290	0.000
H4	0.114	-1.699	0.942
H5	0.114	-1.699	-0.942
H6	0.627	1.976	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2704	2.4778	1.0816	1.0816	3.1916
N2	1.2704		1.2119	2.0333	2.0333	1.9786
C3	2.4778	1.2119		3.1524	3.1524	1.0922
H4	1.0816	2.0333	3.1524		1.8842	3.8283
H5	1.0816	2.0333	3.1524	1.8842		3.8283
H6	3.1916	1.9786	1.0922	3.8283	3.8283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.033	N2	C1	H4	119.426
N2	C1	H5	119.426	N2	C3	H6	118.255
H4	C1	H5	121.148

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/cc-pVTZ

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	-0.223
2	N	0.079
3	C	-0.229
4	H	0.120
5	H	0.120
6	H	0.133

	x	y	z	Total
	1.363	-1.008	0.000	1.696
CHELPG
AIM
ESP

	x	y	z
x	3.256	-0.668	0.000
y	-0.668	9.397	0.000
z	0.000	0.000	3.212

<r²>	41.724
(<r²>)^1/2	6.459

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)