4 LMP2/AVDZ optimized geometry for ammonia N 0.00000000 -0.00000000 -0.06931370 H 0.00000000 0.94311105 0.32106944 H -0.81675813 -0.47155553 0.32106944 H 0.81675813 -0.47155553 0.32106944