diff --git a/Vanilla/p-Coumaricacid/orca.xyz b/Vanilla/p-Coumaricacid/orca.xyz new file mode 100644 index 0000000..8d3191d --- /dev/null +++ b/Vanilla/p-Coumaricacid/orca.xyz @@ -0,0 +1,22 @@ +20 + +O -4.141444 -0.622189 -0.648732 +C -3.644708 0.407311 0.105512 +O -4.465983 1.197182 0.645179 +C -2.212854 0.606422 0.294729 +C -1.350538 -0.218030 -0.268415 +C 0.095412 -0.097916 -0.135373 +C 0.940156 -1.015433 -0.765754 +C 2.311179 -0.940113 -0.667268 +C 2.914080 0.058647 0.068332 +O 4.291070 0.182849 0.202054 +C 2.105098 0.979255 0.702085 +C 0.717563 0.888125 0.591727 +H -4.990032 -1.122751 -0.346038 +H -1.854511 1.429227 0.896300 +H -1.750844 -1.020027 -0.856455 +H 0.524027 -1.818610 -1.355100 +H 2.963648 -1.652111 -1.156566 +H 4.860253 -0.660038 0.292489 +H 2.537625 1.794807 1.300810 +H 0.150804 1.623392 1.100482