Gaussian 09 11-Dec-2018 Gaussian 09 11-Jun-2009 EM64L-G09RevA.02 168 C1[X(C28H18N6O5Ru)] UTPSSh Gen SP #p utpssh/gen pseudo=read scrf=(SMD, solvent=h2o) scf=xqc IOp(3/124=30) 601.4068 1 4 AuxInfo=1/0/N:19,28,21,26,17,30,23,24,16,32,14,12,25,33,11,15,10,13;36,38,34,40,1,3,5,4,56,2;50,52,47,54,45,42,46,44,57,9;58;8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18);2*(1,2)(3,4)(5,6)(7,8)(9,10);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13-1,14-1,15.1,16.1,17-1,18.1;2*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.2,10-1;;/rA:58C3NC3C3C3HHRuNOO1C3O1C3O1C3C3HC3HC3HC3C3NC3HC3HC3HC3NC3HC3HC3HC3HC3HC3C3C3C3HHC3HC3HC3HN2N2O1/rB:;s2;s3;s1s4;s3;s1;s2;s8;s8;;s10;s12;s11;s14;s14;s16;s17;s17;s19;s19;s21;s21;s23;s8s16s23;s24;s26;s26;s28;s28;s30;s12s30;s8s24s32;s5;s34;s34;s36;s36;s38;s4s38;s40;s9;s42;s42;;s44s45;s46;s45;s47;s47;s50;s50;s52;s44s52;s54;s1s2;s9s45;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /home/support/apps/apps/gaussian/pgi/17.4/g09/l1.exe /tmp/Gau-87662.inp -scrdir=/tmp/ chk=tpssh-Ru-2-O-LS.chk nprocshared=20 mem=50GB #p utpssh/gen pseudo=read scrf=(SMD, solvent=h2o) scf=xqc IOp(3/124=30 1/38=1/1 2/12=2,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=32201,72=1,74=-35,116=2,124=30/1,2,3 4//1 5/5=2,8=3,13=1,38=5,53=1/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 tpssh-Ru-2-O-LS 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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 12 14 12 12 12 1 1 102 14 16 16 12 16 12 16 12 12 1 12 1 12 1 12 12 14 12 1 12 1 12 1 12 14 12 1 12 1 12 1 12 1 12 1 12 12 12 12 1 1 12 1 12 1 12 1 14 14 16 12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 101.9037000 14.0030740 15.9949146 15.9949146 12.0000000 15.9949146 12.0000000 15.9949146 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 14.0030740 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 14.0030740 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 14.0030740 14.0030740 15.9949146 0 2 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 2 0 1 0 1 0 1 0 2 0 1 0 1 0 1 0 1 0 1 0 0 0 0 1 1 0 1 0 1 0 1 2 2 0 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /home/support/apps/apps/gaussian/pgi/17.4/g09/l101.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 26565 NPrTT= 151195 LenC2= 19840 LenP2D= 61991. LDataN: DoStor=T MaxTD1= 6 Len= 172 NBasis= 709 RedAO= T NBF= 709 NBsUse= 709 1.00D-06 NBFU= 709 (5D, 7F) 8 lanl2dz F 1 1.0 1.2350000000e+00 1.0000000000e+00 1 3 4 5 12 14 16 17 19 21 23 24 26 28 30 32 34 36 38 40 42 44 45 46 47 50 52 54 6-31g(d) 6 7 18 20 22 27 29 31 35 37 39 41 43 48 49 51 53 55 6-31g(d,p) 10 11 13 15 58 6-31+g(d) 2 9 25 33 56 57 6-31+g(d) 0.10000e-02 0.10000e-05 F 1 549 1 6 No pseudopotential on this center. 2 7 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 1 No pseudopotential on this center. 7 1 No pseudopotential on this center. 8 44 16 F and up 0 1 2 2 2 554.3796303 155.1066871 48.4976263 14.7701594 5.2077363 -0.05152700 -20.18165360 -105.99669150 -42.21667880 -3.76750240 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 S - F 0 1 2 2 2 66.7118060 77.3503632 18.3571445 11.8404727 8.1179479 2.95783440 25.37487070 536.12623720 -651.20572210 381.38169430 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 P - F 0 1 2 2 2 54.9937915 13.9399212 15.2118246 10.5460691 7.5539486 4.96515570 23.88615010 464.46313440 -714.44517880 377.55035940 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 D - F 0 1 2 2 60.3444595 45.2100305 19.1190074 4.2712090 3.03529880 23.29017230 146.09266200 28.91297700 0.00000000 0.00000000 0.00000000 0.00000000 9 7 No pseudopotential on this center. 10 8 No pseudopotential on this center. 11 8 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 8 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 8 No pseudopotential on this center. 16 6 No pseudopotential on this center. 17 6 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 6 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 6 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 6 No pseudopotential on this center. 24 6 No pseudopotential on this center. 25 7 No pseudopotential on this center. 26 6 No pseudopotential on this center. 27 1 No pseudopotential on this center. 28 6 No pseudopotential on this center. 29 1 No pseudopotential on this center. 30 6 No pseudopotential on this center. 31 1 No pseudopotential on this center. 32 6 No pseudopotential on this center. 33 7 No pseudopotential on this center. 34 6 No pseudopotential on this center. 35 1 No pseudopotential on this center. 36 6 No pseudopotential on this center. 37 1 No pseudopotential on this center. 38 6 No pseudopotential on this center. 39 1 No pseudopotential on this center. 40 6 No pseudopotential on this center. 41 1 No pseudopotential on this center. 42 6 No pseudopotential on this center. 43 1 No pseudopotential on this center. 44 6 No pseudopotential on this center. 45 6 No pseudopotential on this center. 46 6 No pseudopotential on this center. 47 6 No pseudopotential on this center. 48 1 No pseudopotential on this center. 49 1 No pseudopotential on this center. 50 6 No pseudopotential on this center. 51 1 No pseudopotential on this center. 52 6 No pseudopotential on this center. 53 1 No pseudopotential on this center. 54 6 No pseudopotential on this center. 55 1 No pseudopotential on this center. 56 7 No pseudopotential on this center. 57 7 No pseudopotential on this center. 58 8 No pseudopotential on this center. Raffenetti 2 on 709 1321 753 143 140 4863.3623607208 709 A IExCor= 2523 DFT=T Ex+Corr=TPSSh ExCW=0 ScaHFX= 0.100000 ScaDFX= 0.900000 0.900000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 58 58 58 7.50e-01 80 F PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 C28H18N6O5Ru(1+,4) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 601.4068 AuxInfo=1/0/N:19,28,21,26,17,30,23,24,16,32,14,12,25,33,11,15,10,13;36,38,34,40,1,3,5,4,56,2;50,52,47,54,45,42,46,44,57,9;58;8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18);2*(1,2)(3,4)(5,6)(7,8)(9,10);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13-1,14-1,15.1,16.1,17-1,18.1;2*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.2,10-1;;/rA:58C3NC3C3C3HHRuNOO1C3O1C3O1C3C3HC3HC3HC3C3NC3HC3HC3HC3NC3HC3HC3HC3HC3HC3C3C3C3HHC3HC3HC3HN2N2O1/rB:;s2;s3;s1s4;s3;s1;s2;s8;s8;;s10;s12;s11;s14;s14;s16;s17;s17;s19;s19;s21;s21;s23;s8s16s23;s24;s26;s26;s28;s28;s30;s12s30;s8s24s32;s5;s34;s34;s36;s36;s38;s4s38;s40;s9;s42;s42;;s44s45;s46;s45;s47;s47;s50;s50;s52;s44s52;s54;s1s2;s9s45;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1463740 0.0698016 0.0607524 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 1.00D-10. Defaulting to unpruned grid for atomic number 44. NRdTot= 3778 NPtTot= 492048 NUsed= 519261 NTot= 519293 NSgBfM= 707 707 707 710 710 NAtAll= 58 58. 1 functional with IExCor= 1009 diagonalized for initial guess. = 2.50D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 0 AccDes= 0.00D+00 : IExCor= 1009 AccDes= 0.00D+00 IRadAn= 0 IDoV= 1 = 1.000000 1.000000 1.000000 1.000000 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) open 1 1 1 -1870.30790444760 -1872.37434984695 -2.066445399346 -1868.96436805368 3.409981793270 -1862.46938745201 6.494980601674 -1875.62284747654 -13.153460024530 -1874.45989425456 1.162953221977 -1874.82849396691 -0.368599712350 -1876.29497909647 -1.466485129565 -1876.42365943946 -0.128680342985 -1876.43273897784 -0.009079538384 -1876.44813495879 -0.015395980951 -1876.44917333316 -0.001038374362 -1876.45096473294 -0.001791399788 -1876.45128095003 -0.000316217083 -1876.45152666871 -0.000245718679 -1876.45159780205 -0.000071133348 -1876.45161150616 -0.000013704103 -1876.45161330134 -0.000001795180 -1876.45161369563 -0.000000394289 -1876.45161380994 -0.000000114312 -1876.45161386447 -0.000000054527 -1876.45161388631 -0.000000021840 -1876.45161389457 -0.000000008261 -1876.45161389583 -0.000000001266 -1876.45161389644 -0.000000000610 -1876.45161389670 -0.000000000261 -1876.45161389671 -0.000000000002 -1876.45161389675 -0.000000000043 -1876.45161390 28 0.5811e-08 2.0411 3.7661 1.802348379016e+03 -1.404307071001e+04 5.500986568804e+03 Requested convergence on RMS density matrix=1.00D-08 within 64 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. 518726 words used for storage of precomputed grid. IEnd= 2245924 IEndB= 2245924 NGot= 6710886400 MDV= 6709212463 LenX= 6709212463 LenY= 6708644701 Fock matrices will be formed incrementally for 20 cycles. 3.7661 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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 C N C C C H H Ru N O O C O C O C C H C H C H C C N C H C H C H C N C H C H C H C H C H C C C C H H C H C H C H N N O 13 14 13 13 13 1 1 99 14 17 17 13 17 13 17 13 13 1 13 1 13 1 13 13 14 13 1 13 1 13 1 13 14 13 1 13 1 13 1 13 1 13 1 13 13 13 13 1 1 13 1 13 1 13 1 14 14 17 0.00123 -0.00868 0.00488 -0.00238 -0.00031 -0.00073 -0.00024 -0.00001 -0.00867 0.02921 0.00384 -0.00423 0.00603 -0.00143 0.00384 0.00407 0.00052 0.00035 0.00229 -0.00031 0.00027 -0.00029 -0.00244 0.00337 0.01986 -0.00245 0.00010 0.00345 -0.00041 -0.00297 0.00026 0.00358 -0.02551 0.00097 -0.00017 0.00305 -0.00040 -0.00219 0.00012 0.00467 -0.00052 0.00488 -0.00073 -0.00238 0.00123 -0.00030 0.00097 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0.017909 -0.008412 0.006749 0.001545 -0.004441 0.003492 0.003431 0.004842 0.020309 0.006770 0.021770 0.007620 0.003238 -0.009985 0.000646 0.003798 -0.000741 -0.014071 0.014911 0.009579 -0.001528 0.021856 -0.001018 -0.009086 -0.001390 0.027517 -0.002920 0.021948 -0.012959 -0.008700 0.015348 -0.003144 0.009575 -0.002827 -0.001528 0.021847 -0.001018 -0.009082 -0.001390 0.027505 -0.002920 -0.028676 -0.028668 -0.475067 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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 0.004213 0.007085 -0.007400 -0.002254 0.000740 -0.015500 0.004079 0.000012 -0.007091 -0.000004 -0.012075 0.000001 0.000014 0.000001 0.012058 0.000002 0.000002 0.000001 -0.000003 0.000000 -0.000001 -0.000000 0.000002 -0.000001 0.000006 -0.000001 -0.000000 0.000001 -0.000000 -0.000001 -0.000000 -0.000002 0.000001 0.000047 0.001162 -0.000009 -0.000255 -0.000472 -0.000726 -0.002374 -0.001748 0.007402 0.015500 0.002253 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13 -0.4102 -0.466 0.7839 0.2601 0.7641 0.5904 0.8741 -0.4461 0.1922 -0.0176 -0.0089 0.0266 -9.397 -4.773 14.169 -3.353 -1.703 5.056 -3.134 -1.592 4.726 6 H 1 -0.4336 0.4007 0.8071 -0.4693 0.6642 -0.5819 0.7693 0.6311 0.0999 -0.0031 -0.0026 0.0057 -1.653 -1.363 3.016 -0.59 -0.486 1.076 -0.552 -0.454 1.006 7 H 1 -1.0E-4 0.8841 0.4673 1.0 0.0 2.0E-4 -1.0E-4 -0.4673 0.8841 -0.0694 -0.0105 0.0799 1.701 0.257 -1.958 0.607 0.092 -0.699 0.567 0.086 -0.653 8 Ru 99 0.2655 0.8631 0.4295 0.4211 -0.5046 0.7537 0.8673 -0.0193 -0.4974 -0.0304 -0.002 0.0325 -1.174 -0.078 1.252 -0.419 -0.028 0.447 -0.392 -0.026 0.418 9 N 14 -0.0 0.8731 0.4875 -1.0E-4 -0.4875 0.8731 1.0 -0.0 1.0E-4 -0.2919 -0.0215 0.3134 21.124 1.553 -22.677 7.538 0.554 -8.092 7.046 0.518 -7.564 10 O 17 0.8462 0.1081 0.5218 0.0672 0.9497 -0.3058 -0.5286 0.2938 0.7964 -0.0482 -9.0E-4 0.049 3.484 0.062 -3.547 1.243 0.022 -1.266 1.162 0.021 -1.183 11 O 17 1.0 -0.0 1.0E-4 -1.0E-4 -0.0253 0.9997 0.0 0.9997 0.0253 -0.0295 -0.0079 0.0374 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-0.27195 -0.26494 -0.25653 -0.25490 -0.25231 -0.24203 -0.20886 -0.16069 -0.14586 -0.10646 -0.09742 -0.09463 -0.09219 -0.08975 -0.08244 -0.07735 -0.06431 -0.03589 -0.02825 -0.01378 -0.01179 -0.00232 0.02005 0.02538 0.02757 0.03124 0.03147 0.03432 0.03711 0.07477 0.07858 0.08702 0.09242 0.09409 0.09672 0.10180 0.10859 0.10990 0.11426 0.12089 0.12444 0.12690 0.13206 0.13245 0.13742 0.13986 0.14251 0.14416 0.14742 0.14967 0.15549 0.15561 0.15677 0.16226 0.16315 0.16934 0.17179 0.17367 0.17682 0.18060 0.18384 0.18941 0.18999 0.19115 0.19545 0.19939 0.20355 0.20516 0.20790 0.20968 0.21370 0.21539 0.22230 0.22535 0.22536 0.23289 0.23858 0.24016 0.24183 0.24381 0.24894 0.25020 0.25444 0.25473 0.25624 0.26180 0.26433 0.26580 0.27205 0.28170 0.28245 0.28599 0.29220 0.29233 0.29586 0.30007 0.30155 0.30455 0.30485 0.31156 0.31602 0.31643 0.32271 0.32463 0.33124 0.33444 0.33638 0.34062 0.34654 0.34718 0.35457 0.36226 0.36806 0.37184 0.37612 0.37683 0.39438 0.40246 0.40851 0.41173 0.42354 0.42985 0.43408 0.43790 0.44506 0.45365 0.45511 0.47046 0.47519 0.47934 0.49158 0.49654 0.50174 0.51576 0.51912 0.52077 0.52614 0.52781 0.53734 0.53881 0.54359 0.54916 0.55044 0.55727 0.55730 0.56647 0.57888 0.58233 0.58642 0.58889 0.59187 0.60016 0.60060 0.60473 0.60508 0.60569 0.60862 0.61089 0.61958 0.62074 0.62183 0.62477 0.63661 0.64347 0.64553 0.64807 0.65909 0.66093 0.66997 0.68421 0.68759 0.69124 0.69877 0.70815 0.71141 0.72347 0.72750 0.73487 0.73702 0.75398 0.75643 0.76703 0.76989 0.77010 0.77384 0.78019 0.79357 0.79496 0.79692 0.80046 0.80050 0.80730 0.80915 0.81340 0.81530 0.81679 0.81729 0.82136 0.82465 0.82791 0.83560 0.84516 0.84829 0.85115 0.85708 0.85942 0.86283 0.86549 0.86834 0.87390 0.87405 0.88220 0.88893 0.89114 0.90372 0.91235 0.91674 0.92267 0.93805 0.94351 0.95447 0.95497 0.96073 0.96415 0.96765 0.98144 0.99092 0.99160 0.99822 1.00259 1.00666 1.01456 1.01707 1.02128 1.02648 1.03207 1.03731 1.04242 1.04969 1.05236 1.06489 1.06607 1.06900 1.08615 1.08803 1.09288 1.10183 1.10939 1.11242 1.13048 1.13098 1.13404 1.14062 1.14840 1.15694 1.15961 1.15985 1.16144 1.17474 1.18190 1.18616 1.19184 1.19382 1.19888 1.19954 1.20487 1.20848 1.21083 1.21274 1.21945 1.22128 1.22577 1.23666 1.24276 1.25366 1.25792 1.26189 1.27229 1.27607 1.27885 1.28615 1.28744 1.29586 1.29954 1.30284 1.30492 1.30794 1.31311 1.31656 1.31943 1.32180 1.32853 1.34038 1.34646 1.34694 1.34917 1.35354 1.35615 1.36504 1.36519 1.36832 1.37426 1.37817 1.38001 1.38081 1.38751 1.38782 1.39810 1.40212 1.40903 1.42560 1.42626 1.43508 1.44355 1.44668 1.44685 1.45255 1.46243 1.46724 1.47256 1.47933 1.48651 1.49895 1.50527 1.50894 1.52537 1.52657 1.53128 1.53578 1.54650 1.56420 1.57199 1.59422 1.60389 1.62772 1.63964 1.66224 1.68950 1.70338 1.70871 1.71567 1.72037 1.72364 1.73127 1.73881 1.74124 1.74522 1.75504 1.76115 1.76409 1.77522 1.77800 1.78255 1.78326 1.78733 1.80132 1.80316 1.81043 1.81407 1.81659 1.83162 1.84175 1.84309 1.85070 1.85278 1.86125 1.86511 1.86780 1.87830 1.87917 1.88316 1.88424 1.89358 1.89511 1.89838 1.90211 1.90445 1.90488 1.91647 1.92040 1.92222 1.92352 1.93036 1.94861 1.95158 1.95353 1.95442 1.95623 1.96421 1.96889 1.97469 1.98499 1.98998 1.99090 1.99253 1.99655 2.00392 2.00570 2.00590 2.02508 2.02653 2.03370 2.04154 2.04179 2.04877 2.06160 2.06251 2.06982 2.07704 2.08853 2.09639 2.11126 2.11304 2.12397 2.13259 2.14471 2.15310 2.15426 2.16422 2.17170 2.17817 2.19021 2.19231 2.20440 2.21106 2.21526 2.22170 2.22562 2.23220 2.24033 2.24082 2.25772 2.26073 2.26310 2.26394 2.26483 2.27468 2.28053 2.29023 2.29490 2.29747 2.29872 2.30449 2.31349 2.31794 2.32566 2.33902 2.33921 2.35578 2.35603 2.37006 2.38489 2.39385 2.39754 2.40187 2.40702 2.41075 2.41119 2.41598 2.42149 2.42198 2.43281 2.43372 2.44982 2.45514 2.45768 2.45984 2.46834 2.46984 2.47068 2.47553 2.48587 2.50323 2.51907 2.52093 2.52785 2.53263 2.53773 2.54190 2.54425 2.54865 2.55337 2.56018 2.56261 2.56306 2.56592 2.57075 2.59175 2.60490 2.61189 2.61362 2.61572 2.62079 2.62809 2.63929 2.64101 2.65058 2.65607 2.66223 2.66501 2.66959 2.67605 2.67979 2.68783 2.70070 2.70234 2.71785 2.71834 2.72001 2.72469 2.72952 2.73896 2.73957 2.75068 2.76073 2.76248 2.77094 2.80106 2.81049 2.81580 2.84266 2.84426 2.86134 2.86914 2.89814 2.90126 2.90878 2.92753 2.95994 2.96010 2.98459 2.98934 3.00394 3.01194 3.03951 3.04085 3.05549 3.07079 3.08247 3.08895 3.10391 3.11852 3.14071 3.16114 3.18020 3.18653 3.19701 3.20899 3.21902 3.27042 3.28009 3.28047 3.28056 3.28669 3.28905 3.30000 3.32921 3.33795 3.34107 3.38131 3.39199 3.39300 3.42766 3.45521 3.50562 3.50811 3.53318 3.53397 3.68436 3.68752 3.81595 3.88325 3.91312 3.91321 19.28712 4-A. Mulliken atomic charges: 1 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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 C N C C C H H Ru N O O C O C O C C H C H C H C C N C H C H C H C N C H C H C H C H C H C C C C H H C H C H C H N N O 0.020272 0.016642 0.109061 0.019720 0.072048 0.235152 0.221888 0.953830 0.016684 -0.587578 -0.696452 0.750475 -0.606348 0.631975 -0.696457 0.178956 -0.120560 0.206247 -0.105800 0.205476 -0.132186 0.212265 0.277443 0.254756 -0.459707 -0.122674 0.214847 -0.126542 0.206759 -0.125445 0.214756 0.230379 -0.277139 -0.130273 0.190268 -0.111933 0.185723 -0.123740 0.185041 -0.124629 0.200533 0.109061 0.235135 0.019720 0.020268 0.072048 -0.130275 0.221885 0.190265 -0.111936 0.185720 -0.123742 0.185038 -0.124635 0.200533 -0.386761 -0.386717 -0.639342 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 8 9 10 11 12 13 14 15 16 17 19 21 23 24 25 26 28 30 32 33 34 36 38 40 42 44 45 46 47 50 52 54 56 57 58 C N C C C Ru N O O C O C O C C C C C C N C C C C N C C C C C C C C C C C C N N O 0.242159 0.016642 0.344213 0.019720 0.072048 0.953830 0.016684 -0.587578 -0.696452 0.750475 -0.606348 0.631975 -0.696457 0.178956 0.085687 0.099676 0.080079 0.277443 0.254756 -0.459707 0.092173 0.080217 0.089311 0.230379 -0.277139 0.059995 0.073790 0.061301 0.075905 0.344196 0.019720 0.242153 0.072048 0.059990 0.073784 0.061296 0.075898 -0.386761 -0.386717 -0.639342 1.00000 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 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 C N C C C H H Ru N O O C O C O C C H C H C H C C N C H C H C H C N C H C H C H C H C H C C C C H H C H C H C H N N O 0.015748 -0.008165 0.036471 -0.010276 -0.001300 -0.002337 -0.000733 1.595959 -0.008172 0.126758 0.019738 -0.017164 0.033545 -0.005404 0.019731 0.017953 -0.003470 0.000860 0.017636 -0.000775 0.006024 -0.000570 -0.004768 0.019266 0.009288 -0.010279 0.000248 0.023797 -0.001017 -0.012331 0.000489 0.024681 -0.039762 0.010159 -0.000384 0.023213 -0.001023 -0.011615 0.000295 0.032028 -0.001242 0.036455 -0.002337 -0.010271 0.015741 -0.001299 0.010154 -0.000732 -0.000384 0.023201 -0.001022 -0.011609 0.000295 0.032012 -0.001241 -0.013330 -0.013318 1.044581 3.00000 4-A. -0.0011 7.3060 17.9108 19.3436 -50.0031 -247.2807 -202.3591 -0.0026 -0.0041 14.4399 116.5445 -80.7330 -35.8115 -0.0026 -0.0041 14.4399 0.0881 158.3809 210.9480 -0.0245 -45.9844 -145.4951 -0.0289 -19.3126 178.6122 0.0395 -7066.2278 -6163.7985 -2406.9752 -0.0789 0.1000 -0.0497 268.6990 -0.1499 26.5661 -2913.4334 -3299.2534 -1298.8252 154.1383 -0.0580 -0.0186 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-DALTON-N03 CRAIGMI 2018-12-11T00:00:00.000Z 0 tpssh-Ru-2-O-LS 1 4 Version=EM64L-G09RevA.02 State=4-A HF=-1876.4516139 S2=3.766108 S2-1=0. 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