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	hartrees
Energy at 0K	-132.722855
Energy at 298.15K	-132.725380
HF Energy	-132.722855
Nuclear repulsion energy	61.294247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3032	1.58
2	A'	3090	2988	2.94
3	A'	1998	1932	267.15
4	A'	1502	1452	4.01
5	A'	1233	1192	7.47
6	A'	908	878	376.30
7	A'	735	711	79.83
8	A'	489	473	33.11
9	A"	3238	3131	1.10
10	A"	1147	1110	6.87
11	A"	965	933	11.24
12	A"	351	339	4.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.087	-1.171	0.000
N2	0.000	0.100	0.000
C3	-0.229	1.291	0.000
H4	0.121	-1.703	0.940
H5	0.121	-1.703	-0.940
H6	0.609	1.989	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2739	2.4825	1.0803	1.0803	3.2028
N2	1.2739		1.2131	2.0367	2.0367	1.9847
C3	2.4825	1.2131		3.1577	3.1577	1.0904
H4	1.0803	2.0367	3.1577		1.8792	3.8408
H5	1.0803	2.0367	3.1577	1.8792		3.8408
H6	3.2028	1.9847	1.0904	3.8408	3.8408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.042	N2	C1	H4	119.569
N2	C1	H5	119.569	N2	C3	H6	118.899
H4	C1	H5	120.862

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.026
2	N	-0.511
3	C	0.013
4	H	0.170
5	H	0.170
6	H	0.185

	x	y	z	Total
	1.359	-1.009	0.000	1.693
CHELPG
AIM
ESP

	x	y	z
x	4.087	-0.938	0.000
y	-0.938	10.142	0.000
z	0.000	0.000	3.721

<r²>	42.105
(<r²>)^1/2	6.489

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)