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	hartrees
Energy at 0K	-132.625732
Energy at 298.15K	-132.628237
HF Energy	-132.625732
Nuclear repulsion energy	60.882277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3042	2.57
2	A'	3097	2989	8.57
3	A'	2032	1961	222.00
4	A'	1474	1422	2.39
5	A'	1237	1193	9.00
6	A'	913	881	331.16
7	A'	706	681	78.18
8	A'	489	472	24.80
9	A"	3270	3155	0.73
10	A"	1123	1084	5.87
11	A"	955	922	10.94
12	A"	348	336	2.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.141	-1.171	0.000
N2	0.000	0.100	0.000
C3	-0.297	1.287	0.000
H4	0.202	-1.704	0.951
H5	0.202	-1.704	-0.951
H6	0.533	2.015	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2786	2.4969	1.0917	1.0917	3.2103
N2	1.2786		1.2240	2.0487	2.0487	1.9883
C3	2.4969	1.2240		3.1777	3.1777	1.1040
H4	1.0917	2.0487	3.1777		1.9021	3.8528
H5	1.0917	2.0487	3.1777	1.9021		3.8528
H6	3.2103	1.9883	1.1040	3.8528	3.8528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.288	N2	C1	H4	119.401
N2	C1	H5	119.401	N2	C3	H6	117.214
H4	C1	H5	121.197

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/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	-0.081
2	N	0.009
3	C	-0.159
4	H	0.071
5	H	0.071
6	H	0.090

	x	y	z	Total
	1.427	-0.936	0.000	1.706
CHELPG
AIM
ESP

	x	y	z
x	2.625	-0.878	0.000
y	-0.878	8.871	0.000
z	0.000	0.000	2.749

<r²>	42.058
(<r²>)^1/2	6.485

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)