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	hartrees
Energy at 0K	-131.892028
Energy at 298.15K	-131.894569
HF Energy	-131.892028
Nuclear repulsion energy	60.922397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3045	3.02
2	A'	3127	2985	7.72
3	A'	2034	1942	195.51
4	A'	1519	1450	5.42
5	A'	1230	1174	4.88
6	A'	854	815	421.00
7	A'	770	735	123.59
8	A'	497	474	27.03
9	A"	3294	3145	4.40
10	A"	1168	1115	3.67
11	A"	977	933	10.74
12	A"	361	345	7.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.141	-1.175	0.000
N2	0.000	0.100	0.000
C3	-0.286	1.286	0.000
H4	0.196	-1.713	0.937
H5	0.196	-1.713	-0.937
H6	0.481	2.064	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2825	2.4977	1.0814	1.0814	3.2574
N2	1.2825		1.2202	2.0495	2.0495	2.0227
C3	2.4977	1.2202		3.1782	3.1782	1.0926
H4	1.0814	2.0495	3.1782		1.8734	3.9019
H5	1.0814	2.0495	3.1782	1.8734		3.9019
H6	3.2574	2.0227	1.0926	3.9019	3.9019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.740	N2	C1	H4	119.980
N2	C1	H5	119.980	N2	C3	H6	121.891
H4	C1	H5	120.038

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: mPW1PW91/3-21G

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	-0.221
2	N	-0.510
3	C	0.016
4	H	0.240
5	H	0.240
6	H	0.235

	x	y	z	Total
	1.500	-0.643	0.000	1.632
CHELPG
AIM
ESP

	x	y	z
x	1.862	-0.885	0.000
y	-0.885	8.267	0.000
z	0.000	0.000	2.285

<r²>	42.115
(<r²>)^1/2	6.490

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)