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	hartrees
Energy at 0K	-132.551350
Energy at 298.15K	-132.553828
HF Energy	-132.396047
Nuclear repulsion energy	60.680399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3052	2.85
2	A'	3125	3005	3.14
3	A'	1990	1914	266.40
4	A'	1489	1432	4.32
5	A'	1214	1168	7.67
6	A'	888	854	409.72
7	A'	695	668	88.04
8	A'	475	456	32.64
9	A"	3294	3168	0.75
10	A"	1136	1093	8.17
11	A"	950	914	10.48
12	A"	341	328	5.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.178	-1.175	0.000
N2	0.000	0.102	0.000
C3	-0.335	1.281	0.000
H4	0.247	-1.700	0.950
H5	0.247	-1.700	-0.950
H6	0.448	2.052	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2890	2.5090	1.0875	1.0875	3.2387
N2	1.2890		1.2260	2.0517	2.0517	2.0015
C3	2.5090	1.2260		3.1825	3.1825	1.0992
H4	1.0875	2.0517	3.1825		1.8995	3.8761
H5	1.0875	2.0517	3.1825	1.8995		3.8761
H6	3.2387	2.0015	1.0992	3.8761	3.8761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.076	N2	C1	H4	119.149
N2	C1	H5	119.149	N2	C3	H6	118.716
H4	C1	H5	121.701

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP=FULL/aug-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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All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)