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	hartrees
Energy at 0K	-132.653369
Energy at 298.15K	-132.655919
HF Energy	-132.653369
Nuclear repulsion energy	61.478128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3031	2.05
2	A'	3116	2983	4.32
3	A'	2029	1942	265.62
4	A'	1502	1437	3.14
5	A'	1247	1193	8.39
6	A'	903	864	368.13
7	A'	739	707	75.45
8	A'	500	479	34.15
9	A"	3276	3135	1.43
10	A"	1144	1095	6.23
11	A"	969	928	11.06
12	A"	361	346	3.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.075	-1.168	0.000
N2	0.000	0.099	0.000
C3	-0.216	1.290	0.000
H4	0.105	-1.696	0.939
H5	0.105	-1.696	-0.939
H6	0.638	1.966	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2690	2.4750	1.0782	1.0782	3.1838
N2	1.2690		1.2106	2.0289	2.0289	1.9729
C3	2.4750	1.2106		3.1471	3.1471	1.0893
H4	1.0782	2.0289	3.1471		1.8786	3.8181
H5	1.0782	2.0289	3.1471	1.8786		3.8181
H6	3.1838	1.9729	1.0893	3.8181	3.8181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.090	N2	C1	H4	119.409
N2	C1	H5	119.409	N2	C3	H6	118.049
H4	C1	H5	121.181

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B1B95/cc-pVTZ

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	-0.246
2	N	0.082
3	C	-0.246
4	H	0.132
5	H	0.132
6	H	0.146

	x	y	z	Total
	1.346	-1.024	0.000	1.691
CHELPG
AIM
ESP

	x	y	z
x	3.229	-0.627	0.000
y	-0.627	9.365	0.000
z	0.000	0.000	3.197

<r²>	41.600
(<r²>)^1/2	6.450

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)