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	hartrees
Energy at 0K	-132.623429
Energy at 298.15K	-132.625950
HF Energy	-132.623429
Nuclear repulsion energy	61.074359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3041	2.34
2	A'	3113	2982	3.30
3	A'	2023	1938	262.76
4	A'	1491	1428	3.12
5	A'	1245	1192	8.57
6	A'	904	866	355.18
7	A'	742	711	77.79
8	A'	486	466	34.62
9	A"	3293	3155	0.95
10	A"	1131	1084	7.82
11	A"	957	917	10.84
12	A"	346	331	4.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.118	-1.171	0.000
N2	0.000	0.099	0.000
C3	-0.269	1.290	0.000
H4	0.166	-1.701	0.947
H5	0.166	-1.701	-0.947
H6	0.573	1.996	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2752	2.4907	1.0861	1.0861	3.1996
N2	1.2752		1.2206	2.0403	2.0403	1.9819
C3	2.4907	1.2206		3.1667	3.1667	1.0989
H4	1.0861	2.0403	3.1667		1.8935	3.8380
H5	1.0861	2.0403	3.1667	1.8935		3.8380
H6	3.1996	1.9819	1.0989	3.8380	3.8380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.587	N2	C1	H4	119.340
N2	C1	H5	119.340	N2	C3	H6	117.298
H4	C1	H5	121.321

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B1B95/aug-cc-pVDZ

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	0.688
2	N	0.113
3	C	0.041
4	H	-0.296
5	H	-0.296
6	H	-0.249

	x	y	z	Total
	1.403	-1.069	0.000	1.763
CHELPG
AIM
ESP

	x	y	z
x	4.144	-1.010	0.000
y	-1.010	10.058	0.000
z	0.000	0.000	3.783

<r²>	42.164
(<r²>)^1/2	6.493

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)