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	hartrees
Energy at 0K	-132.611443
Energy at 298.15K	-132.614012
HF Energy	-132.611443
Nuclear repulsion energy	61.126009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3022	6.38
2	A'	3138	2988	2.97
3	A'	2036	1939	297.98
4	A'	1515	1442	1.97
5	A'	1258	1197	11.53
6	A'	908	864	393.64
7	A'	789	751	92.80
8	A'	499	475	44.32
9	A"	3284	3127	0.61
10	A"	1151	1096	7.09
11	A"	976	929	12.12
12	A"	368	350	4.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.046	-1.175	0.000
N2	0.000	0.098	0.000
C3	-0.184	1.306	0.000
H4	0.061	-1.705	0.944
H5	0.061	-1.705	-0.944
H6	0.711	1.935	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2743	2.4917	1.0830	1.0830	3.1804
N2	1.2743		1.2216	2.0368	2.0368	1.9694
C3	2.4917	1.2216		3.1653	3.1653	1.0944
H4	1.0830	2.0368	3.1653		1.8885	3.8165
H5	1.0830	2.0368	3.1653	1.8885		3.8165
H6	3.1804	1.9694	1.0944	3.8165	3.8165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.369	N2	C1	H4	119.324
N2	C1	H5	119.324	N2	C3	H6	116.398
H4	C1	H5	121.351

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/6-31+G**

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	-0.337
2	N	-0.007
3	C	-0.162
4	H	0.175
5	H	0.175
6	H	0.156

	x	y	z	Total
	1.549	-1.271	0.000	2.004
CHELPG
AIM
ESP

	x	y	z
x	3.298	-0.748	0.000
y	-0.748	10.026	0.000
z	0.000	0.000	3.044

<r²>	42.215
(<r²>)^1/2	6.497

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)