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	hartrees
Energy at 0K	-132.538957
Energy at 298.15K	-132.541453
HF Energy	-132.389434
Nuclear repulsion energy	60.859023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3048	3.08
2	A'	3156	3005	4.48
3	A'	2014	1918	270.65
4	A'	1514	1442	4.09
5	A'	1225	1166	8.68
6	A'	896	853	423.24
7	A'	695	662	110.25
8	A'	478	455	36.38
9	A"	3315	3157	1.29
10	A"	1153	1098	7.02
11	A"	965	919	10.92
12	A"	358	341	5.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.148	-1.177	0.000
N2	0.000	0.101	0.000
C3	-0.298	1.288	0.000
H4	0.201	-1.702	0.943
H5	0.201	-1.702	-0.943
H6	0.501	2.030	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2862	2.5043	1.0809	1.0809	3.2259
N2	1.2862		1.2236	2.0449	2.0449	1.9928
C3	2.5043	1.2236		3.1747	3.1747	1.0907
H4	1.0809	2.0449	3.1747		1.8858	3.8611
H5	1.0809	2.0449	3.1747	1.8858		3.8611
H6	3.2259	1.9928	1.0907	3.8611	3.8611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.486	N2	C1	H4	119.264
N2	C1	H5	119.264	N2	C3	H6	118.772
H4	C1	H5	121.466

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/6-31+G**

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	-0.312
2	N	-0.005
3	C	-0.144
4	H	0.157
5	H	0.157
6	H	0.146

	x	y	z	Total
	1.504	-0.870	0.000	1.738
CHELPG
AIM
ESP

	x	y	z
x	3.648	-1.496	0.000
y	-1.496	10.026	0.000
z	0.000	0.000	3.043

<r²>	42.636
(<r²>)^1/2	6.530

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)