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	hartrees
Energy at 0K	-132.681998
Energy at 298.15K	-132.684529
HF Energy	-132.681998
Nuclear repulsion energy	61.163813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3037	1.29
2	A'	3081	2973	13.41
3	A'	2024	1953	173.61
4	A'	1508	1455	1.69
5	A'	1237	1193	8.61
6	A'	938	905	324.92
7	A'	726	700	65.22
8	A'	495	478	22.29
9	A"	3251	3137	2.63
10	A"	1152	1111	6.18
11	A"	973	939	8.08
12	A"	351	339	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.128	-1.168	0.000
N2	0.000	0.099	0.000
C3	-0.281	1.285	0.000
H4	0.184	-1.701	0.941
H5	0.184	-1.701	-0.941
H6	0.549	2.001	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2731	2.4870	1.0833	1.0833	3.1966
N2	1.2731		1.2193	2.0395	2.0395	1.9798
C3	2.4870	1.2193		3.1656	3.1656	1.0960
H4	1.0833	2.0395	3.1656		1.8825	3.8373
H5	1.0833	2.0395	3.1656	1.8825		3.8373
H6	3.1966	1.9798	1.0960	3.8373	3.8373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.455	N2	C1	H4	119.669
N2	C1	H5	119.669	N2	C3	H6	117.441
H4	C1	H5	120.661

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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	-0.295
2	N	0.159
3	C	-0.288
4	H	0.137
5	H	0.137
6	H	0.151

	x	y	z	Total
	1.313	-0.987	0.000	1.642
CHELPG
AIM
ESP

	x	y	z
x	2.666	-0.702	0.000
y	-0.702	8.680	0.000
z	0.000	0.000	2.904

<r²>	41.761
(<r²>)^1/2	6.462

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)