srDFT_G2/Ref/Inputs_G1/H3COH.xyz
2019-03-26 20:24:09 +01:00

9 lines
240 B
Plaintext

6
0,1
C 0.000000 0.000000 0.000000
O 0.000000 0.000000 1.415268
H 1.046033 0.000000 -0.318621
H -0.915011 0.000000 1.709947
H -0.484190 -0.891768 -0.425597
H -0.484190 0.891768 -0.425597