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	hartrees
Energy at 0K	-131.983556
Energy at 298.15K	-131.986027
HF Energy	-131.983556
Nuclear repulsion energy	61.311527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3085	7.40
2	A'	3072	3072	1.40
3	A'	2058	2058	261.01
4	A'	1427	1427	6.75
5	A'	1225	1225	6.48
6	A'	845	845	325.59
7	A'	650	650	86.12
8	A'	494	494	36.59
9	A"	3191	3191	0.35
10	A"	1080	1080	3.23
11	A"	915	915	12.21
12	A"	375	375	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.069	-1.172	0.000
N2	0.000	0.100	0.000
C3	-0.204	1.289	0.000
H4	0.093	-1.706	0.949
H5	0.093	-1.706	-0.949
H6	0.622	2.011	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2734	2.4757	1.0896	1.0896	3.2302
N2	1.2734		1.2064	2.0424	2.0424	2.0098
C3	2.4757	1.2064		3.1559	3.1559	1.0972
H4	1.0896	2.0424	3.1559		1.8983	3.8727
H5	1.0896	2.0424	3.1559	1.8983		3.8727
H6	3.2302	2.0098	1.0972	3.8727	3.8727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.387	N2	C1	H4	119.411
N2	C1	H5	119.411	N2	C3	H6	121.423
H4	C1	H5	121.175

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: LSDA/Def2TZVPP

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	-0.326
2	N	0.168
3	C	-0.317
4	H	0.152
5	H	0.152
6	H	0.171

	x	y	z	Total
	1.274	-0.791	0.000	1.500
CHELPG
AIM
ESP

	x	y	z
x	3.582	-0.694	0.000
y	-0.694	9.817	0.000
z	0.000	0.000	3.420

<r²>	41.988
(<r²>)^1/2	6.480

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: LSDA/Def2TZVPP

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)