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	hartrees
Energy at 0K	-132.592333
Energy at 298.15K	-132.594781
HF Energy	-132.592333
Nuclear repulsion energy	60.648517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	3107	0.26
2	A'	3023	3023	28.59
3	A'	1983	1983	145.27
4	A'	1472	1472	1.77
5	A'	1206	1206	8.09
6	A'	931	931	280.62
7	A'	648	648	78.51
8	A'	476	476	15.80
9	A"	3212	3212	5.84
10	A"	1117	1117	5.60
11	A"	943	943	7.34
12	A"	343	343	3.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.243	-1.161	0.000
N2	0.000	0.102	0.000
C3	-0.416	1.260	0.000
H4	0.349	-1.687	0.946
H5	0.349	-1.687	-0.946
H6	0.336	2.066	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2864	2.5092	1.0879	1.0879	3.2282
N2	1.2864		1.2303	2.0540	2.0540	1.9921
C3	2.5092	1.2303		3.1885	3.1885	1.1016
H4	1.0879	2.0540	3.1885		1.8926	3.8703
H5	1.0879	2.0540	3.1885	1.8926		3.8703
H6	3.2282	1.9921	1.1016	3.8703	3.8703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.153	N2	C1	H4	119.555
N2	C1	H5	119.555	N2	C3	H6	117.254
H4	C1	H5	120.887

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B97D3/6-31G**

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	-0.174
2	N	-0.122
3	C	-0.103
4	H	0.135
5	H	0.135
6	H	0.129

	x	y	z	Total
	1.370	-0.743	0.000	1.558
CHELPG
AIM
ESP

	x	y	z
x	2.588	-1.338	0.000
y	-1.338	8.456	0.000
z	0.000	0.000	2.658

<r²>	42.192
(<r²>)^1/2	6.496

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B97D3/6-31G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)