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	hartrees
Energy at 0K	-132.452555
Energy at 298.15K	-132.455015
HF Energy	-131.863884
Nuclear repulsion energy	61.265262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3038	3.93
2	A'	3211	3027	9.35
3	A'	2075	1956	471.81
4	A'	1491	1406	5.72
5	A'	1219	1149	5.92
6	A'	758	714	607.31
7	A'	594	560	123.77
8	A'	503	474	79.30
9	A"	3337	3145	0.02
10	A"	1145	1079	6.32
11	A"	961	906	11.99
12	A"	391	369	4.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.135	-1.178	0.000
N2	0.000	0.106	0.000
C3	-0.271	1.274	0.000
H4	0.175	-1.692	0.944
H5	0.175	-1.692	-0.944
H6	0.466	2.068	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2907	2.4854	1.0760	1.0760	3.2628
N2	1.2907		1.1994	2.0382	2.0382	2.0168
C3	2.4854	1.1994		3.1446	3.1446	1.0827
H4	1.0760	2.0382	3.1446		1.8890	3.8877
H5	1.0760	2.0382	3.1446	1.8890		3.8877
H6	3.2628	2.0168	1.0827	3.8877	3.8877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.954	N2	C1	H4	118.616
N2	C1	H5	118.616	N2	C3	H6	124.117
H4	C1	H5	122.745

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)