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	hartrees
Energy at 0K	-131.865414
Energy at 298.15K	-131.867959
HF Energy	-131.865414
Nuclear repulsion energy	60.993028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3056	3.31
2	A'	3127	2991	7.29
3	A'	2034	1946	197.99
4	A'	1518	1452	5.26
5	A'	1231	1177	4.91
6	A'	848	811	421.17
7	A'	769	736	120.69
8	A'	499	477	27.33
9	A"	3300	3157	4.66
10	A"	1166	1115	3.70
11	A"	978	936	10.59
12	A"	365	350	6.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.138	-1.174	0.000
N2	0.000	0.100	0.000
C3	-0.283	1.285	0.000
H4	0.192	-1.711	0.936
H5	0.192	-1.711	-0.936
H6	0.485	2.061	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2815	2.4950	1.0799	1.0799	3.2537
N2	1.2815		1.2185	2.0470	2.0470	2.0201
C3	2.4950	1.2185		3.1741	3.1741	1.0915
H4	1.0799	2.0470	3.1741		1.8712	3.8969
H5	1.0799	2.0470	3.1741	1.8712		3.8969
H6	3.2537	2.0201	1.0915	3.8969	3.8969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.762	N2	C1	H4	119.955
N2	C1	H5	119.955	N2	C3	H6	121.888
H4	C1	H5	120.089

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B1B95/3-21G

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	-0.207
2	N	-0.508
3	C	0.022
4	H	0.233
5	H	0.233
6	H	0.228

	x	y	z	Total
	1.482	-0.634	0.000	1.612
CHELPG
AIM
ESP

	x	y	z
x	1.854	-0.862	0.000
y	-0.862	8.260	0.000
z	0.000	0.000	2.284

<r²>	42.035
(<r²>)^1/2	6.483

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)