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	hartrees
Energy at 0K	-132.641797
Energy at 298.15K	-132.644239
HF Energy	-132.641797
Nuclear repulsion energy	60.421064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3079	3063	1.15
2	A'	3010	2994	11.42
3	A'	1952	1942	203.08
4	A'	1454	1446	4.26
5	A'	1187	1181	7.13
6	A'	909	904	319.88
7	A'	657	654	99.74
8	A'	465	463	27.69
9	A"	3182	3165	2.47
10	A"	1108	1103	6.16
11	A"	926	922	10.75
12	A"	350	348	5.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	-1.181	0.000
N2	0.000	0.102	0.000
C3	-0.317	1.293	0.000
H4	0.222	-1.715	0.950
H5	0.222	-1.715	-0.950
H6	0.488	2.047	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2935	2.5205	1.0912	1.0912	3.2450
N2	1.2935		1.2327	2.0625	2.0625	2.0054
C3	2.5205	1.2327		3.2006	3.2006	1.1028
H4	1.0912	2.0625	3.2006		1.8996	3.8896
H5	1.0912	2.0625	3.2006	1.8996		3.8896
H6	3.2450	2.0054	1.1028	3.8896	3.8896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.281	N2	C1	H4	119.494
N2	C1	H5	119.494	N2	C3	H6	118.231
H4	C1	H5	121.006

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: BLYP/6-31+G**

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	-0.316
2	N	0.044
3	C	-0.169
4	H	0.151
5	H	0.151
6	H	0.140

	x	y	z	Total
	1.472	-0.894	0.000	1.722
CHELPG
AIM
ESP

	x	y	z
x	3.815	-1.487	0.000
y	-1.487	10.139	0.000
z	0.000	0.000	3.177

<r²>	43.140
(<r²>)^1/2	6.568

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)