1cOHpm7bfgs

Esta é uma pré-visualização de arquivo. Entre para ver o arquivo original

PM7 BFGS GNORM=0.01 THREADS=4 CHARGE=0 AUX NOXYZ LET DDMIN=0.0 STEP=-0.1 POINTS=50 
 
 
Au 0.000000 0 0.000000 0 0.000000 0 0 0 0
Au 2.959475 0 0.000000 0 0.000000 0 1 0 0
Au 2.924496 0 59.999607 0 0.000000 0 2 1 0
Au 2.899067 0 60.048775 0 -108.636589 0 3 2 1
Au 2.995185 0 179.470276 0 169.891754 0 4 3 2
Au 2.959649 0 58.851330 0 -169.390488 0 5 4 3
Au 2.938655 0 179.051147 0 116.140579 0 6 5 4
Au 2.955229 0 178.806625 0 99.809990 0 7 6 5
Au 2.922678 0 118.946335 0 145.835953 0 8 7 6
Au 2.965470 0 177.809921 0 -96.519913 0 9 8 7
Au 2.894042 0 179.120956 0 -148.334167 0 10 9 8
Au 2.913724 0 60.165462 0 -116.809242 0 11 10 9
Au 2.936333 0 178.376617 0 92.594513 0 12 11 10
Au 2.953128 0 59.760918 0 -91.948875 0 13 12 11
Au 2.969615 0 119.873787 0 -176.880646 0 14 13 12
Au 2.932884 0 60.447723 0 -0.659078 0 15 14 13
Au 2.972366 0 179.360138 0 24.639807 0 16 15 14
Au 2.945535 0 59.381161 0 -93.265091 0 17 16 15
Au 2.920370 0 120.763092 0 0.266100 0 18 17 16
Au 2.919440 0 179.546921 0 157.605087 0 19 18 17
Au 2.930124 0 60.247486 0 -46.697163 0 20 19 18
Au 2.904178 0 178.843170 0 -68.515762 0 21 20 19
Au 2.898716 0 60.302685 0 69.365524 0 22 21 20
Au 2.898570 0 119.713753 0 -0.767852 0 1 18 23
Au 2.927557 0 60.207241 0 -179.030655 0 24 1 18
Au 2.967972 0 119.700851 0 -0.731888 0 25 24 1
Au 2.947095 0 59.700321 0 -178.610611 0 26 25 24
Au 2.905393 0 179.530090 0 2.495755 0 1 24 20
 O 6.000000 -1 60.000000 0 75.000000 0 2 15 16
 C 1.400000 1 145.000000 1 180.000000 1 29 2 4
 H 1.089000 1 109.471000 1 180.000000 1 30 29 2
 H 1.089000 1 109.471000 1 120.000000 1 30 29 31
 H 1.089000 1 109.471000 1 240.000000 1 30 29 31
 H 0.950000 1 109.471000 1 0.000000 1 29 30 31