diff --git a/imidazole/cc-pvdz/imidazole.ang b/imidazole/cc-pvdz/imidazole.ang new file mode 100644 index 0000000..2fcb685 --- /dev/null +++ b/imidazole/cc-pvdz/imidazole.ang @@ -0,0 +1,9 @@ + C 0.22047002 1.09013818 0.00000000 + C -0.80762172 -0.85908302 0.00000000 + C 0.55119348 -1.02135132 0.00000000 + N -1.00726641 0.50226832 0.00000000 + N 1.18649703 0.20152884 0.00000000 + H 0.34661972 2.15771097 0.00000000 + H -1.89181141 0.97423200 0.00000000 + H -1.62120791 -1.55873998 0.00000000 + H 1.10425494 -1.94208620 0.00000000