debug NSPA=60 GRADIENTS 1SCF EPS=78.4 AM1 CHARGE=1 Ammonia (solution phase geometry) Heat of Formation should be 59.766 kcal/mol and the gradient should be small. H 0.00000000 0 0.0000000 0 0.0000000 0 0 0 0 0.2668 N 1.01578458 1 0.0000000 0 0.0000000 0 1 0 0 -0.0683 H 1.01578458 1 109.4712210 1 0.0000000 0 2 1 0 0.2672 H 1.01578458 1 109.4712210 1 -120.0000000 1 2 1 3 0.2676 H 1.01578458 1 109.4712210 1 120.0000000 1 2 1 3 0.2668