#kJ/mol Rx Ry Rz elst exch ind exind dHF disp exdisp total 1 -4.03818248 0.0 -2.45198575 -79.88525 138.51670 -67.90425 47.21620 -16.06246 -30.85849 7.53036 -1.44719 2 -4.36123708 0.0 -2.64814461 -51.26629 69.87602 -32.14671 21.32642 -7.94215 -19.72405 4.31327 -15.56349 3 -4.52276438 0.0 -2.74622404 -41.66366 49.51204 -22.46926 14.28243 -5.49456 -15.80083 3.22541 -18.40841 4 -4.68429168 0.0 -2.84430347 -34.22959 35.03832 -15.85054 9.54977 -3.79562 -12.67985 2.39703 -19.57049 5 -4.83352211 0.0 -2.93491622 -28.83334 25.42702 -11.56678 6.57399 -2.69150 -10.36566 1.81364 -19.64263 6 -5.00734628 0.0 -3.04046233 -23.90075 17.47970 -8.10563 4.25782 -1.78447 -8.21776 1.30445 -18.96665 7 -5.16887358 0.0 -3.13854176 -20.30716 12.32561 -5.89850 2.84873 -1.20097 -6.64016 0.95647 -17.91598 8 -5.33040088 0.0 -3.23662119 -17.43745 8.68310 -4.35104 1.90798 -0.79830 -5.38078 0.69897 -16.67752 9 -5.65345548 0.0 -3.43278005 -13.22459 4.29450 -2.44350 0.85858 -0.31987 -3.56681 0.36991 -14.03178 10 -6.46109198 0.0 -3.92317720 -7.49606 0.72324 -0.70207 0.12027 0.05605 -1.35946 0.07266 -8.58537 11 -8.07636497 0.0 -4.90397150 -3.23829 0.02026 -0.18011 0.00285 0.04701 -0.26896 0.00266 -3.61458 12 -9.69163797 0.0 -5.88476580 -1.70827 0.00057 -0.05517 0.00007 0.02144 -0.07633 0.00010 -1.81760