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	hartrees
Energy at 0K	-132.585493
Energy at 298.15K	-132.588056
HF Energy	-132.585493
Nuclear repulsion energy	60.842614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3043	2.12
2	A'	3165	2996	9.26
3	A'	2051	1941	195.60
4	A'	1533	1451	5.51
5	A'	1245	1179	6.96
6	A'	892	844	418.33
7	A'	786	744	116.58
8	A'	497	471	25.56
9	A"	3327	3149	5.62
10	A"	1180	1117	5.59
11	A"	975	923	10.00
12	A"	369	349	8.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.164	-1.174	0.000
N2	0.000	0.099	0.000
C3	-0.313	1.282	0.000
H4	0.228	-1.709	0.937
H5	0.228	-1.709	-0.937
H6	0.439	2.075	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2834	2.5020	1.0809	1.0809	3.2604
N2	1.2834		1.2240	2.0489	2.0489	2.0240
C3	2.5020	1.2240		3.1807	3.1807	1.0921
H4	1.0809	2.0489	3.1807		1.8742	3.9036
H5	1.0809	2.0489	3.1807	1.8742		3.9036
H6	3.2604	2.0240	1.0921	3.9036	3.9036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.522	N2	C1	H4	119.889
N2	C1	H5	119.889	N2	C3	H6	121.727
H4	C1	H5	120.220

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: mPW1PW91/6-31G

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	-0.208
2	N	-0.295
3	C	-0.053
4	H	0.190
5	H	0.190
6	H	0.177

	x	y	z	Total
	1.501	-0.623	0.000	1.626
CHELPG
AIM
ESP

	x	y	z
x	2.186	-1.098	0.000
y	-1.098	8.655	0.000
z	0.000	0.000	2.429

<r²>	42.208
(<r²>)^1/2	6.497

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)