mirror of
https://github.com/TREX-CoE/fparser.git
synced 2024-07-22 10:47:46 +02:00
14 lines
606 B
Plaintext
14 lines
606 B
Plaintext
12
|
|
benzene example
|
|
C 0.00000 1.40272 0.00000
|
|
H 0.00000 2.49029 0.00000
|
|
C -1.21479 0.70136 0.00000
|
|
H -2.15666 1.24515 0.00000
|
|
C -1.21479 -0.70136 0.00000
|
|
H -2.15666 -1.24515 0.00000
|
|
C 0.00000 -1.40272 0.00000
|
|
H 0.00000 -2.49029 0.00000
|
|
C 1.21479 -0.70136 0.00000
|
|
H 2.15666 -1.24515 0.00000
|
|
C 1.21479 0.70136 0.00000
|
|
H 2.15666 1.24515 0.00000 |