HW_2_Cartesian coordinates_曾子騰

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Cartesian coordinates

Carbon dioxide: 

C  6    0.00000000  0.00000000  0.00000000
O  8    0.00000000  0.00000000  1.24153300
O  8    0.00000000  0.00000000 -1.24153300
 

Acetylene: 

C  6    0.00000000  0.00000000  0.00000000
C  6    0.00000000  0.00000000 -1.18551000
H  1    0.00000000  0.00000000 -2.24242000
H  1    0.00000000  0.00000000  1.05691000

Methane: 

C  6    0.00000000  0.00000000  0.00000000
H  1   -0.62931200  0.62931200  0.62931200
H  1    0.62931200 -0.62931200  0.62931200
H  1    0.62931200  0.62931200 -0.62931200
H  1   -0.62931200 -0.62931200 -0.62931200
 

Chromium hexacarbonyl：

111

Cr 24   0.00000000  0.00000000  0.00000000
C  6    0.35259891 -1.87056793  0.42326073
O  8    0.56415826 -2.99290868  0.67721716
C  6   -1.31836095  0.07614702  1.43479129
O  8   -2.10937751  0.12183523  2.29566607
C  6   -1.39287416 -0.54559808 -1.25088941
O  8   -2.22859866 -0.87295693 -2.00142305
C  6   -0.35259891  1.87056793 -0.42326073
O  8   -0.56415826  2.99290868 -0.67721716
C  6    1.39287416  0.54559808  1.25088941
O  8    2.22859866  0.87295693  2.00142305
C  6    1.31836095 -0.07614702 -1.43479129
O  8    2.10937751 -0.12183523 -2.29566607
 

Phosphorus pentachloride:

P  15   0.00000000  0.00000000  0.00000000
Cl 17  -0.00000000  2.19413300 -0.00000000
Cl 17   0.00000000  0.00000000  2.31842600
Cl 17   0.00000000 -0.00000000 -2.31842600
Cl 17   1.90017500 -1.09706600 -0.00000000
Cl 17  -1.90017500 -1.09706600 -0.00000000