ADF 2019 2019-11-09 x86_64_linux_intel / openmpi Jun06-2022 16:48:15 415.0237999999999 AuxInfo=1/1/N:18,9,11,8,12,10,6;19,14,16,13,17,15,7;2;3;4;5;1/E:2*(2,3)(4,5);;;;;/CRV:2*2.3,3.3,4.3,5.3,6.3,7-1;;;;;/rA:33RuClClClClNNC3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s1;s1;s6;s8;s9;s10;s6s11;s7;s13;s14;s15;s7s16;s10;s15;s8;s9;s11;s12;s13;s14;s16;s17;s19;s19;s19;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Ru Cl Cl Cl Cl N N C C C C C C C C C C C C H H H H H H H H H H H H H H 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 -17881.281 -623.331 -555.104 -637.012 -612.170 -291.232 -392.375 -227.146 -184.639 -210.706 -186.316 -228.789 -227.434 -185.477 -216.853 -184.537 -226.897 -55.606 -53.659 -5.225 -5.083 -6.158 -7.448 -9.100 -7.665 -6.819 -8.382 0.654 1.934 -0.446 2.495 1.632 4.140 4271.190 1146.409 1146.403 1146.409 1146.404 312.517 312.520 250.535 244.091 252.284 244.215 250.441 250.438 244.207 252.282 244.123 250.504 223.275 223.286 30.522 31.568 31.585 30.511 30.514 31.583 31.573 30.517 28.506 28.243 27.415 28.598 27.442 28.127 -13610.090 523.079 591.299 509.397 534.234 21.285 -79.855 23.389 59.452 41.578 57.898 21.652 23.004 58.730 35.429 59.585 23.607 167.669 169.627 25.297 26.485 25.426 23.063 21.414 23.918 24.753 22.135 29.161 30.177 26.969 31.093 29.073 32.267