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	hartrees
Energy at 0K	-132.655252
Energy at 298.15K	-132.657799
HF Energy	-132.655252
Nuclear repulsion energy	61.481307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3035	2.25
2	A'	3117	2988	2.21
3	A'	2022	1938	281.01
4	A'	1501	1439	3.41
5	A'	1247	1195	8.04
6	A'	900	863	373.29
7	A'	742	711	76.49
8	A'	498	477	37.09
9	A"	3275	3139	0.96
10	A"	1143	1095	7.24
11	A"	968	928	10.84
12	A"	360	345	4.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.075	-1.168	0.000
N2	0.000	0.099	0.000
C3	-0.216	1.290	0.000
H4	0.105	-1.696	0.939
H5	0.105	-1.696	-0.939
H6	0.636	1.968	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2690	2.4749	1.0782	1.0782	3.1851
N2	1.2690		1.2103	2.0289	2.0289	1.9738
C3	2.4749	1.2103		3.1468	3.1468	1.0891
H4	1.0782	2.0289	3.1468		1.8787	3.8194
H5	1.0782	2.0289	3.1468	1.8787		3.8194
H6	3.1851	1.9738	1.0891	3.8194	3.8194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.105	N2	C1	H4	119.403
N2	C1	H5	119.403	N2	C3	H6	118.184
H4	C1	H5	121.194

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B1B95/aug-cc-pVTZ

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	-0.769
2	N	0.028
3	C	-0.619
4	H	0.463
5	H	0.463
6	H	0.434

	x	y	z	Total
	1.347	-1.056	0.000	1.712
CHELPG
AIM
ESP

	x	y	z
x	4.112	-0.815	0.000
y	-0.815	10.059	0.000
z	0.000	0.000	3.833

<r²>	41.743
(<r²>)^1/2	6.461

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)