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	hartrees
Energy at 0K	-131.001551
Energy at 298.15K	-131.003821
HF Energy	-131.001551
Nuclear repulsion energy	59.369291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3369	3369	56.33
2	A'	3220	3220	1.47
3	A'	2045	2045	27.22
4	A'	1587	1587	0.37
5	A'	1228	1228	1.88
6	A'	1023	1023	215.07
7	A'	679	679	54.91
8	A'	444	444	7.85
9	A"	3540	3540	1.04
10	A"	1181	1181	9.09
11	A"	999	999	1.18
12	A"	319	319	4.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.596	-1.052	0.000
N2	0.000	0.117	0.000
C3	-0.829	1.077	0.000
H4	0.862	-1.528	0.954
H5	0.862	-1.528	-0.954
H6	-0.327	2.087	0.000

	C1	N2	C3	H4	H5	H6
C1		1.3116	2.5617	1.0988	1.0988	3.2720
N2	1.3116		1.2687	2.0877	2.0877	1.9975
C3	2.5617	1.2687		3.2492	3.2492	1.1276
H4	1.0988	2.0877	3.2492		1.9075	3.9236
H5	1.0988	2.0877	3.2492	1.9075		3.9236
H6	3.2720	1.9975	1.1276	3.9236	3.9236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	166.230	N2	C1	H4	119.754
N2	C1	H5	119.754	N2	C3	H6	112.808
H4	C1	H5	120.441

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/STO-3G

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	-0.078
2	N	-0.170
3	C	-0.015
4	H	0.092
5	H	0.092
6	H	0.078

	x	y	z	Total
	1.364	-0.232	0.000	1.384
CHELPG
AIM
ESP

	x	y	z
x	2.062	-2.103	0.000
y	-2.103	4.608	0.000
z	0.000	0.000	1.335

<r²>	42.747
(<r²>)^1/2	6.538

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)