Arti notasi himpunan basis

SISTEM KOORDINAT

 Koordinat Eksternal  Koordinat internal

 Kartesian  Z-matrik
 Polar

 Reference di luar sistem yang  Reference pada sistem yang

diamati dipelajari
 Koordinat Eksternal

Pada gambar, posisi

titik P ditulis dalam dua
Koordinat:
• Koordinat kartesius (x,Y)
• Koordinat polar (r, α)
 Koordinat internal

• Pada molekul metana CH4

Koordinat kartesius:
C 0.000000 0.000000 0.000000
H 0.000000 0.000000 1.089000
H 1.026719 0.000000 -0.363000
H -0.513360 -0.889165 -0.363000
H -0.513360 0.889165 -0.363000
Koordinat z-matrix:
C
H 1 1.089000
H 1 1.089000 2 109.4710
H 1 1.089000 2 109.4710 3 120.0000
H 1 1.089000 2 109.4710 3 -120.0000
 H10

H9 N6
C5 O3
H4
C1
H7 O2
H8
Cartesian Z-matrix Bond length from O2 to C1
Bond angle O3-C1-C2
C 0.000000 0.000000 0.000000 C
Torsion H4-O3-C1-O2
O 0.000000 0.000000 1.186946 O,1, 1.186946
O 1.115760 0.000000 -0.721297 O,1,1.328604,2,122.881
H 1.857585 -0.003870 -0.123921 H,3,0.952458,1,108.275,2,0.245
C -1.231460 -0.063905 -0.868630 C,1,1.508642,2,125.162,3,177.029
N -2.387688 0.380277 -0.128239 N,5,1.443031,1,110.222,2,21.829
H -1.076191 0.566402 -1.735172 H,5,1.082724,1,108.612,6,120.898
H -1.283681 -1.092740 -1.233610 H,5,1.092904,1,105.737,6,-124.886
H -3.232968 0.145850 -0.608510 H,6,1.000058,5,111.019,1,193.254
H -2.409573 -0.040880 0.779146 H,6,1.0006000,5,110.686,1,-46.106
 H10

H9 N6
C5 O3
H4
C1
H7 O2
H8
Cartesian Z-matrix Bond length from O2 to C1
Bond angle O3-C1-C2
C 0.000000 0.000000 0.000000 C
Torsion H4-O3-C1-O2
O 0.000000 0.000000 1.186946 O,1, 1.186946
O 1.115760 0.000000 -0.721297 O,1,1.328604,2,122.881
H 1.857585 -0.003870 -0.123921 H,3,0.952458,1,108.275,2,0.245
C -1.231460 -0.063905 -0.868630 C,1,1.508642,2,125.162,3,177.029
N -2.387688 0.380277 -0.128239 N,5,1.443031,1,110.222,2,21.829
H -1.076191 0.566402 -1.735172 H,5,1.082724,1,108.612,6,120.898
H -1.283681 -1.092740 -1.233610 H,5,1.092904,1,105.737,6,-124.886
H -3.232968 0.145850 -0.608510 H,6,1.000058,5,111.019,1,193.254
H -2.409573 -0.040880 0.779146 H,6,1.0006000,5,110.686,1,-46.106