quack/mol/ccl2.xyz

5 lines
213 B
Plaintext

3
\ce{CCl2},^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -0.85155553
Cl 0.00000000 1.40422788 0.14606856
Cl 0.00000000 -1.40422788 0.14606856