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	hartrees
Energy at 0K	-131.891791
Energy at 298.15K	-131.894222
HF Energy	-131.891791
Nuclear repulsion energy	60.257517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3065	0.99
2	A'	2999	2979	18.79
3	A'	1945	1933	134.15
4	A'	1471	1461	5.01
5	A'	1166	1158	4.09
6	A'	863	858	334.32
7	A'	670	665	112.55
8	A'	467	464	13.57
9	A"	3181	3160	6.93
10	A"	1121	1114	3.54
11	A"	937	930	9.18
12	A"	344	342	5.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.233	-1.175	0.000
N2	0.000	0.104	0.000
C3	-0.393	1.272	0.000
H4	0.325	-1.713	0.943
H5	0.325	-1.713	-0.943
H6	0.312	2.119	0.000

	C1	N2	C3	H4	H5	H6
C1		1.3001	2.5262	1.0893	1.0893	3.2954
N2	1.3001		1.2327	2.0723	2.0723	2.0393
C3	2.5262	1.2327		3.2116	3.2116	1.1023
H4	1.0893	2.0723	3.2116		1.8859	3.9461
H5	1.0893	2.0723	3.2116	1.8859		3.9461
H6	3.2954	2.0393	1.1023	3.9461	3.9461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.711	N2	C1	H4	120.039
N2	C1	H5	120.039	N2	C3	H6	121.611
H4	C1	H5	119.920

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: BLYP/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	-0.178
2	N	-0.437
3	C	0.020
4	H	0.200
5	H	0.200
6	H	0.195

	x	y	z	Total
	1.393	-0.499	0.000	1.480
CHELPG
AIM
ESP

	x	y	z
x	2.049	-1.307	0.000
y	-1.307	8.093	0.000
z	0.000	0.000	2.319

<r²>	42.861
(<r²>)^1/2	6.547

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)