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	hartrees
Energy at 0K	-132.667157
Energy at 298.15K	-132.669688
HF Energy	-132.667157
Nuclear repulsion energy	61.330602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3036	2.08
2	A'	3101	2993	2.52
3	A'	2015	1945	267.00
4	A'	1493	1441	3.97
5	A'	1238	1195	7.60
6	A'	901	869	367.13
7	A'	726	701	78.67
8	A'	493	476	34.40
9	A"	3251	3138	0.84
10	A"	1137	1097	6.89
11	A"	962	929	10.95
12	A"	356	344	4.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.091	-1.170	0.000
N2	0.000	0.099	0.000
C3	-0.234	1.289	0.000
H4	0.127	-1.700	0.942
H5	0.127	-1.700	-0.942
H6	0.604	1.988	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2724	2.4802	1.0814	1.0814	3.1987
N2	1.2724		1.2125	2.0351	2.0351	1.9826
C3	2.4802	1.2125		3.1548	3.1548	1.0917
H4	1.0814	2.0351	3.1548		1.8834	3.8359
H5	1.0814	2.0351	3.1548	1.8834		3.8359
H6	3.1987	1.9826	1.0917	3.8359	3.8359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.962	N2	C1	H4	119.452
N2	C1	H5	119.452	N2	C3	H6	118.635
H4	C1	H5	121.096

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/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	-0.583
2	N	0.013
3	C	-0.517
4	H	0.357
5	H	0.357
6	H	0.372

	x	y	z	Total
	1.350	-1.002	0.000	1.682
CHELPG
AIM
ESP

	x	y	z
x	4.151	-0.899	0.000
y	-0.899	10.058	0.000
z	0.000	0.000	3.846

<r²>	41.891
(<r²>)^1/2	6.472

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)