# Scan of Total Energy # X-Axis: Scan Coordinate # Y-Axis: Total Energy (Hartree) # X Y 0.0034560564 -705.5110045020 5.0034560564 -705.5109811920 10.0034560564 -705.5108165020 15.0034560564 -705.5104340990 20.0034560564 -705.5097955790 25.0034560564 -705.5088728450 30.0034560564 -705.5076424800 35.0034560564 -705.5060876460 40.0034560564 -705.5042033700 45.0034560564 -705.5020036860 50.0034560564 -705.4995225480 55.0034560564 -705.4967759660 60.0034560564 -705.4936612500 65.0034560564 -705.4899341520 70.0034560564 -705.4852928420 75.0034560564 -705.4794242050 80.0034560564 -705.4720309170 85.0034560564 -705.4629224550 90.0034560564 -705.4521571760 95.0034560564 -705.4402565580 100.0034560564 -705.4917729780