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	hartrees
Energy at 0K	-132.728844
Energy at 298.15K	-132.731366
HF Energy	-132.728844
Nuclear repulsion energy	61.282360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3024	1.56
2	A'	3093	2978	4.71
3	A'	1998	1923	260.16
4	A'	1502	1446	3.76
5	A'	1233	1187	8.13
6	A'	910	876	372.33
7	A'	733	705	79.93
8	A'	490	472	30.44
9	A"	3246	3124	1.51
10	A"	1146	1104	6.48
11	A"	965	929	10.37
12	A"	351	338	3.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.086	-1.172	0.000
N2	0.000	0.100	0.000
C3	-0.229	1.292	0.000
H4	0.120	-1.703	0.940
H5	0.120	-1.703	-0.940
H6	0.612	1.987	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2744	2.4831	1.0804	1.0804	3.2020
N2	1.2744		1.2133	2.0370	2.0370	1.9838
C3	2.4831	1.2133		3.1581	3.1581	1.0907
H4	1.0804	2.0370	3.1581		1.8798	3.8397
H5	1.0804	2.0370	3.1581	1.8798		3.8397
H6	3.2020	1.9838	1.0907	3.8397	3.8397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.035	N2	C1	H4	119.548
N2	C1	H5	119.548	N2	C3	H6	118.767
H4	C1	H5	120.904

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/Def2TZVPP

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	-0.193
2	N	0.053
3	C	-0.232
4	H	0.119
5	H	0.119
6	H	0.135

	x	y	z	Total
	1.362	-1.002	0.000	1.691
CHELPG
AIM
ESP

	x	y	z
x	3.562	-0.778	0.000
y	-0.778	9.797	0.000
z	0.000	0.000	3.361

<r²>	42.047
(<r²>)^1/2	6.484

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)