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	hartrees
Energy at 0K	-131.975651
Energy at 298.15K	-131.978124
HF Energy	-131.975651
Nuclear repulsion energy	61.269289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3084	3048	8.07
2	A'	3069	3034	0.74
3	A'	2066	2042	257.02
4	A'	1430	1413	7.55
5	A'	1227	1213	6.99
6	A'	835	825	333.24
7	A'	655	648	102.43
8	A'	489	484	33.48
9	A"	3188	3151	0.25
10	A"	1083	1071	2.47
11	A"	916	906	12.17
12	A"	375	370	4.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.085	-1.171	0.000
N2	0.000	0.100	0.000
C3	-0.223	1.287	0.000
H4	0.115	-1.707	0.949
H5	0.115	-1.707	-0.949
H6	0.596	2.019	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2740	2.4771	1.0906	1.0906	3.2305
N2	1.2740		1.2075	2.0446	2.0446	2.0091
C3	2.4771	1.2075		3.1589	3.1589	1.0981
H4	1.0906	2.0446	3.1589		1.8987	3.8748
H5	1.0906	2.0446	3.1589	1.8987		3.8748
H6	3.2305	2.0091	1.0981	3.8748	3.8748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	173.197	N2	C1	H4	119.483
N2	C1	H5	119.483	N2	C3	H6	121.177
H4	C1	H5	121.030

All results from a given calculation for (methyleneaminomethylene)

using model chemistry: LSDA/TZVP

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	-0.319
2	N	0.002
3	C	-0.200
4	H	0.175
5	H	0.175
6	H	0.167

	x	y	z	Total
	1.382	-0.767	0.000	1.580
CHELPG
AIM
ESP

	x	y	z
x	3.297	-0.849	0.000
y	-0.849	9.766	0.000
z	0.000	0.000	3.093

<r²>	42.051
(<r²>)^1/2	6.485