Gaussian 09 8-Oct-2019 Gaussian 09 30-Nov-2015 ES64L-G09RevE.01 177 C1[X(C29H21N6O4Ru)] UM06L Gen SP #pguess=read Integral=UltraFine gen scrf=(smd, solvent=h2o) pseudo=readscf=xqc um06l pop=(regular, npa) 597.4181 0 2 AuxInfo=1/1/N:6,5,13,7,12,4,14,8,11,3,15,17,9,10,18,2,16;32,33,31,34,29,28,30,35,27,36;48,49,47,50,45,44,46,51,43,52;59,60;1/E:;;;(1,2);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15-1,16-1,17.1;2*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9-1,10.2;;/rA:61RuOC3C3C3C3C3C3C3NC3C3C3C3C3O1C3NHHHHHHHHNC3C3C3C3C3C3C3C3N2HHHHHHNC3C3C3C3C3C3C3C3N2HHHHHHOOH/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;s10;s11;s12;s13;s14;s15;s11s15;s1s9s17;s4;s5;s6;s7;s10;s12;s13;s14;s1;s27;s28;s29;s30;s31;s32;s33;s30s34;s27s35;s28;s29;s31;s32;s33;s34;s1;s43;s44;s45;s46;s47;s48;s49;s46s50;s43s51;s44;s45;s47;s48;s49;s50;s1;s59;s60;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /ichec/packages/gaussian/09e01/l1.exe "/localscratch/417669/Gau-80075.inp" -scrdir="/localscratch/417669/" chk=Ru_31a_7_OOH_LSm06l.chk nprocshared=40 mem=100GB #p guess=read Integral=UltraFine gen scrf=(smd, solvent=h2o) pseudo=re 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=-53,75=-5,116=2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6,53=1/2,8 6/28=1,40=-1/1,7 99/5=1,9=1/99 /home/michael/molsimp_comfiles/Ru_31a_7_OOH/Ru_31a_7_OOH.com auto gene 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 59 60 61 102 16 12 12 12 12 12 12 12 14 12 12 12 12 12 16 12 14 1 1 1 1 1 1 1 1 14 12 12 12 12 12 12 12 12 14 1 1 1 1 1 1 14 12 12 12 12 12 12 12 12 14 1 1 1 1 1 1 16 16 1 101.9037000 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 15.9949146 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 15.9949146 1.0078250 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 1 1 1 1 1 1 1 1 2 0 0 0 0 0 0 0 0 2 1 1 1 1 1 1 2 0 0 0 0 0 0 0 0 2 1 1 1 1 1 1 0 0 1 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 0.0000000 0.0000000 0.0000000 (Enter /ichec/packages/gaussian/09e01/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= 28441 NPrTT= 158981 LenC2= 21013 LenP2D= 64226. LDataN: DoStor=T MaxTD1= 6 Len= 172 NBasis= 720 RedAO= T EigKep= 2.90D-05 NBF= 720 NBsUse= 720 1.00D-06 EigRej= -1.00D+00 NBFU= 720 (5D, 7F) 19 20 21 22 23 24 25 26 37 38 39 40 41 42 53 54 55 56 57 58 61 6-31g(d,p) 3 4 5 6 7 8 9 11 12 13 14 15 17 28 29 30 31 32 33 34 35 44 45 46 47 48 49 50 51 6-31g(d) 1 lanl2dz F 1 1.0 1.2350000000e+00 1.0000000000e+00 2 16 59 60 6-31+g(d) 10 18 27 36 43 52 6-31+g(d) 1 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 2 8 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 6 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 7 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 6 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 6 No pseudopotential on this center. 16 8 No pseudopotential on this center. 17 6 No pseudopotential on this center. 18 7 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 1 No pseudopotential on this center. 24 1 No pseudopotential on this center. 25 1 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 7 No pseudopotential on this center. 28 6 No pseudopotential on this center. 29 6 No pseudopotential on this center. 30 6 No pseudopotential on this center. 31 6 No pseudopotential on this center. 32 6 No pseudopotential on this center. 33 6 No pseudopotential on this center. 34 6 No pseudopotential on this center. 35 6 No pseudopotential on this center. 36 7 No pseudopotential on this center. 37 1 No pseudopotential on this center. 38 1 No pseudopotential on this center. 39 1 No pseudopotential on this center. 40 1 No pseudopotential on this center. 41 1 No pseudopotential on this center. 42 1 No pseudopotential on this center. 43 7 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 6 No pseudopotential on this center. 49 6 No pseudopotential on this center. 50 6 No pseudopotential on this center. 51 6 No pseudopotential on this center. 52 7 No pseudopotential on this center. 53 1 No pseudopotential on this center. 54 1 No pseudopotential on this center. 55 1 No pseudopotential on this center. 56 1 No pseudopotential on this center. 57 1 No pseudopotential on this center. 58 1 No pseudopotential on this center. 59 8 No pseudopotential on this center. 60 8 No pseudopotential on this center. 61 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F 1 563 IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 61 61 61 1.00e+00 60 T PCM (using non-symmetric T matrix) SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 C29H21N6O4Ru(2) 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 0 0 0 597.4181 AuxInfo=1/1/N:6,5,13,7,12,4,14,8,11,3,15,17,9,10,18,2,16;32,33,31,34,29,28,30,35,27,36;48,49,47,50,45,44,46,51,43,52;59,60;1/E:;;;(1,2);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,15-1,16-1,17.1;2*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9-1,10.2;;/rA:61RuOC3C3C3C3C3C3C3NC3C3C3C3C3O1C3NHHHHHHHHNC3C3C3C3C3C3C3C3N2HHHHHHNC3C3C3C3C3C3C3C3N2HHHHHHOOH/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;s10;s11;s12;s13;s14;s15;s11s15;s1s9s17;s4;s5;s6;s7;s10;s12;s13;s14;s1;s27;s28;s29;s30;s31;s32;s33;s30s34;s27s35;s28;s29;s31;s32;s33;s34;s1;s43;s44;s45;s46;s47;s48;s49;s46s50;s43s51;s44;s45;s47;s48;s49;s50;s1;s59;s60;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1053125 0.0737851 0.0657956 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 44. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 736 737 738 738 741 MxSgAt= 61 MxSgA2= 61. 1 open 1 1 1 -1840.90561518567 -1840.91067067697 -0.005055491300 -1840.90409416863 0.006576508338 -1840.88730900945 0.016785159178 -1840.92460283618 -0.037293826726 -1840.92547129030 -0.000868454116 -1840.92552263765 -0.000051347351 -1840.92555498189 -0.000032344239 -1840.92555624710 -0.000001265217 -1840.92555642579 -0.000000178688 -1840.92555646717 -0.000000041377 -1840.92555647691 -0.000000009737 -1840.92555647969 -0.000000002787 -1840.92555648072 -0.000000001026 -1840.92555648113 -0.000000000409 -1840.92555648125 -0.000000000119 -1840.92555648128 -0.000000000032 -1840.92555648130 -0.000000000018 -1840.92555648 18 0.7588 1.768230801342e+03 -1.390572949350e+04 5.479163639344e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 1793254 IEndB= 1793254 NGot= 13421772800 MDV= 13420568231 LenX= 13420568231 LenY= 13419983771 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. Fock matrices will be formed incrementally for 20 cycles. 0.7588 alpha 138 139 140 141 142 143 144 145 146 147 148 O O O O O O V V V V V -0.215897 -0.204600 -0.188333 -0.181370 -0.172906 -0.169156 -0.111017 -0.107832 -0.074950 -0.066529 -0.064818 1.677551 1.637501 2.255417 2.549435 2.111837 2.153929 1.734278 1.747774 3.082088 1.555881 1.588365 beta 138 139 140 141 142 143 144 145 146 147 148 O O O O O V V V V V V -0.211970 -0.200026 -0.179889 -0.171477 -0.167934 -0.138145 -0.109435 -0.103910 -0.066333 -0.063982 -0.062193 1.496305 1.664355 1.991462 2.505465 2.115202 2.397966 1.743913 1.894613 1.581837 1.589949 1.842048 1.768230801342D+03 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 59 60 61 Ru O C C C C C C C N C C C C C O C N H H H H H H H H N C C C C C C C C N H H H H H H N C C C C C C C C N H H H H H H O O H 99 17 13 13 13 13 13 13 13 14 13 13 13 13 13 17 13 14 1 1 1 1 1 1 1 1 14 13 13 13 13 13 13 13 13 14 1 1 1 1 1 1 14 13 13 13 13 13 13 13 13 14 1 1 1 1 1 1 17 17 1 -0.00000 0.01499 -0.00400 0.00337 -0.00304 0.00560 -0.00318 0.00496 -0.00171 -0.00179 0.00174 -0.00109 0.00201 -0.00130 0.00187 -0.00097 -0.00166 -0.00638 -0.00047 0.00014 -0.00065 0.00021 -0.00005 0.00002 -0.00027 0.00005 -0.00737 -0.00023 -0.00040 -0.00000 0.00002 -0.00011 -0.00001 -0.00004 -0.00044 -0.00233 -0.00005 -0.00000 0.00000 0.00002 -0.00000 0.00001 -0.02201 0.00232 -0.00276 0.00344 -0.00215 0.00321 -0.00162 0.00234 -0.00289 0.00738 -0.00039 0.00015 0.00015 -0.00037 0.00011 -0.00026 0.03158 0.00232 0.00064 0.00054 -9.08661 -4.49258 3.79389 -3.41273 6.29414 -3.57695 5.57368 -1.92533 -0.57918 1.96110 -1.22751 2.25511 -1.46161 2.09963 0.58717 -1.86116 -2.06223 -2.11367 0.62749 -2.88683 0.94162 -0.23621 0.10481 -1.19826 0.23686 -2.38105 -0.25617 -0.44581 -0.00363 0.01933 -0.12272 -0.01288 -0.04781 -0.49528 -0.75236 -0.20478 -0.00327 0.00762 0.06876 -0.01063 0.03825 -7.11007 2.60719 -3.10471 3.86232 -2.41576 3.61087 -1.82412 2.62725 -3.24516 2.38531 -1.73031 0.68650 0.68355 -1.67361 0.48023 -1.17565 -19.14464 -1.40351 2.87826 0.00019 -3.24233 -1.60306 1.35375 -1.21775 2.24591 -1.27634 1.98883 -0.68700 -0.20667 0.69977 -0.43800 0.80468 -0.52154 0.74920 0.20952 -0.66411 -0.73585 -0.75421 0.22390 -1.03009 0.33599 -0.08429 0.03740 -0.42757 0.08452 -0.84962 -0.09141 -0.15908 -0.00129 0.00690 -0.04379 -0.00460 -0.01706 -0.17673 -0.26846 -0.07307 -0.00117 0.00272 0.02454 -0.00379 0.01365 -2.53705 0.93031 -1.10784 1.37817 -0.86200 1.28845 -0.65089 0.93747 -1.15795 0.85114 -0.61742 0.24496 0.24391 -0.59718 0.17136 -0.41950 -6.83128 -0.50081 1.02703 0.00018 -3.03097 -1.49856 1.26551 -1.13836 2.09950 -1.19314 1.85918 -0.64222 -0.19319 0.65415 -0.40945 0.75222 -0.48754 0.70036 0.19586 -0.62082 -0.68788 -0.70504 0.20931 -0.96294 0.31409 -0.07879 0.03496 -0.39970 0.07901 -0.79423 -0.08545 -0.14871 -0.00121 0.00645 -0.04094 -0.00430 -0.01595 -0.16521 -0.25096 -0.06831 -0.00109 0.00254 0.02294 -0.00355 0.01276 -2.37166 0.86967 -1.03562 1.28833 -0.80581 1.20445 -0.60846 0.87636 -1.08247 0.79566 -0.57717 0.22899 0.22801 -0.55825 0.16019 -0.39215 -6.38596 -0.46816 0.96008 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 59 60 61 -0.092221 -0.108826 0.006219 -0.012232 0.005598 -0.014011 0.006567 -0.010772 0.005609 0.004424 -0.003330 0.002348 -0.005485 0.000625 -0.005271 0.003171 0.005799 -0.010182 -0.000599 0.000442 0.001107 0.000837 0.001618 0.000511 -0.000426 -0.000526 0.008878 0.004456 0.002639 0.002297 0.000904 0.001009 0.000789 0.001591 0.001697 0.010574 0.001380 0.001176 0.000666 0.000427 0.000523 0.001035 -0.012061 0.012635 -0.008165 0.010067 -0.006146 0.011143 -0.004589 0.007758 -0.004307 0.042838 -0.001630 -0.000783 -0.000542 -0.000558 -0.000422 -0.000641 0.373168 0.073389 -0.008310 0.084095 0.219900 -0.009591 0.014444 -0.007979 0.019159 -0.009221 0.015534 -0.002111 -0.003937 0.005735 -0.002559 0.006721 -0.001793 0.003753 0.019132 -0.003512 0.014486 -0.000873 -0.000648 -0.000810 -0.000945 -0.000817 -0.000315 0.000115 -0.000183 -0.003383 -0.003742 -0.000645 -0.001283 -0.000507 -0.000116 -0.000300 -0.000493 -0.000795 0.001523 -0.000176 -0.000538 -0.000332 -0.000192 -0.000224 -0.000296 0.015257 -0.007393 0.005632 -0.007111 0.005070 -0.007690 0.003833 -0.005109 0.004335 -0.027679 -0.002073 0.000653 0.000815 0.001164 0.000490 0.000777 -0.181869 -0.041953 -0.000326 0.008126 -0.111075 0.003372 -0.002212 0.002381 -0.005148 0.002654 -0.004763 -0.003498 -0.000486 -0.002404 0.000211 -0.001237 0.001168 0.001519 -0.022303 -0.002287 -0.004305 0.001472 0.000205 -0.000296 0.000108 -0.000801 -0.000195 0.000311 0.000709 -0.005495 -0.000713 -0.001994 -0.001014 -0.000398 -0.000893 -0.000489 -0.001098 -0.000902 -0.012097 -0.001205 -0.000638 -0.000335 -0.000235 -0.000299 -0.000739 -0.003197 -0.005243 0.002533 -0.002956 0.001076 -0.003453 0.000756 -0.002649 -0.000028 -0.015159 0.003704 0.000130 -0.000273 -0.000607 -0.000068 -0.000135 -0.191299 -0.031436 0.008636 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 59 60 61 -0.097661 -0.029872 -0.000404 -0.003698 0.001863 -0.006302 0.001637 -0.007771 -0.000726 0.001508 -0.000526 0.001588 -0.002042 0.000991 0.000406 -0.001953 0.005081 -0.017504 0.000467 -0.000055 -0.001073 -0.000338 0.000522 0.000513 0.000711 0.000526 -0.002947 0.002431 0.001088 -0.000048 0.000102 -0.000154 -0.000318 -0.000675 -0.000774 -0.000976 0.004972 0.000842 0.000161 -0.000091 -0.000276 -0.001004 0.000230 -0.003415 0.001695 -0.004677 0.001604 -0.003651 0.001089 -0.002439 0.001155 -0.008499 -0.001891 -0.000422 -0.000052 -0.000465 -0.000009 0.000458 -0.372720 -0.006469 0.001310 0.178005 0.011886 0.006900 -0.001714 0.001959 -0.000917 0.003082 0.000391 0.001071 0.001015 -0.002350 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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: 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 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