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	hartrees
Energy at 0K	-132.515611
Energy at 298.15K	-132.518041
HF Energy	-132.515611
Nuclear repulsion energy	60.426304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3079	3061	2.77
2	A'	3020	3002	10.57
3	A'	1995	1984	180.00
4	A'	1417	1408	2.95
5	A'	1199	1192	7.05
6	A'	894	889	284.33
7	A'	626	623	78.57
8	A'	475	472	17.90
9	A"	3193	3175	0.58
10	A"	1080	1074	4.76
11	A"	917	912	10.54
12	A"	348	346	2.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.220	-1.169	0.000
N2	0.000	0.102	0.000
C3	-0.389	1.271	0.000
H4	0.315	-1.699	0.958
H5	0.315	-1.699	-0.958
H6	0.380	2.074	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2901	2.5148	1.0989	1.0989	3.2470
N2	1.2901		1.2317	2.0643	2.0643	2.0082
C3	2.5148	1.2317		3.1990	3.1990	1.1117
H4	1.0989	2.0643	3.1990		1.9158	3.8934
H5	1.0989	2.0643	3.1990	1.9158		3.8934
H6	3.2470	2.0082	1.1117	3.8934	3.8934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.439	N2	C1	H4	119.343
N2	C1	H5	119.343	N2	C3	H6	117.861
H4	C1	H5	121.314

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	-0.077
2	N	0.042
3	C	-0.156
4	H	0.058
5	H	0.058
6	H	0.076

	x	y	z	Total
	1.379	-0.740	0.000	1.565
CHELPG
AIM
ESP

	x	y	z
x	2.799	-1.264	0.000
y	-1.264	8.784	0.000
z	0.000	0.000	2.806

<r²>	42.591
(<r²>)^1/2	6.526

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)