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	hartrees
Energy at 0K	-131.770302
Energy at 298.15K	-131.772749
HF Energy	-131.770302
Nuclear repulsion energy	60.337111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3100	3072	2.62
2	A'	3026	2998	11.74
3	A'	1980	1962	146.66
4	A'	1457	1444	6.18
5	A'	1181	1170	3.77
6	A'	846	839	334.13
7	A'	673	667	124.10
8	A'	473	469	16.88
9	A"	3200	3171	3.99
10	A"	1113	1103	2.66
11	A"	932	924	10.61
12	A"	352	349	6.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.226	-1.175	0.000
N2	0.000	0.103	0.000
C3	-0.384	1.272	0.000
H4	0.314	-1.712	0.945
H5	0.314	-1.712	-0.945
H6	0.321	2.120	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2974	2.5214	1.0906	1.0906	3.2957
N2	1.2974		1.2304	2.0700	2.0700	2.0421
C3	2.5214	1.2304		3.2067	3.2067	1.1027
H4	1.0906	2.0700	3.2067		1.8900	3.9463
H5	1.0906	2.0700	3.2067	1.8900		3.9463
H6	3.2957	2.0421	1.1027	3.9463	3.9463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.833	N2	C1	H4	119.941
N2	C1	H5	119.941	N2	C3	H6	122.062
H4	C1	H5	120.113

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/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	-0.224
2	N	-0.458
3	C	0.008
4	H	0.227
5	H	0.227
6	H	0.220

	x	y	z	Total
	1.410	-0.482	0.000	1.490
CHELPG
AIM
ESP

	x	y	z
x	2.049	-1.294	0.000
y	-1.294	8.093	0.000
z	0.000	0.000	2.321

<r²>	42.736
(<r²>)^1/2	6.537

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)