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	hartrees
Energy at 0K	-131.879637
Energy at 298.15K	-131.882161
HF Energy	-131.879637
Nuclear repulsion energy	60.817624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3049	2.69
2	A'	3108	2988	8.67
3	A'	2023	1944	185.71
4	A'	1508	1450	5.56
5	A'	1220	1172	4.65
6	A'	852	819	405.42
7	A'	752	723	123.75
8	A'	492	473	24.74
9	A"	3275	3148	4.72
10	A"	1158	1113	3.46
11	A"	969	931	10.78
12	A"	359	345	6.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.153	-1.176	0.000
N2	0.000	0.100	0.000
C3	-0.300	1.285	0.000
H4	0.213	-1.714	0.938
H5	0.213	-1.714	-0.938
H6	0.456	2.075	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2854	2.5019	1.0830	1.0830	3.2652
N2	1.2854		1.2217	2.0534	2.0534	2.0268
C3	2.5019	1.2217		3.1834	3.1834	1.0942
H4	1.0830	2.0534	3.1834		1.8761	3.9109
H5	1.0830	2.0534	3.1834	1.8761		3.9109
H6	3.2652	2.0268	1.0942	3.9109	3.9109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.613	N2	C1	H4	119.983
N2	C1	H5	119.983	N2	C3	H6	122.035
H4	C1	H5	120.032

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/3-21G

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	-0.222
2	N	-0.497
3	C	0.014
4	H	0.237
5	H	0.237
6	H	0.232

	x	y	z	Total
	1.482	-0.609	0.000	1.602
CHELPG
AIM
ESP

	x	y	z
x	1.886	-0.944	0.000
y	-0.944	8.250	0.000
z	0.000	0.000	2.294

<r²>	42.222
(<r²>)^1/2	6.498

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)