Gaussian 09 GINC-G19 ANNA Molecule Name AM64L-G09RevD.01 RB3LYP GenECP FOpt # opt freq=noraman b3lyp/genecp int=ultrafine scrf=(cpcm,solvent=2-propanol) /opt/g09/g09 Output=P01_J008_Rh_formate_iPrOH_opt.log -19.18328 -19.17937 -19.17866 -19.17810 -19.17760 -19.17757 -19.17732 -19.17706 -19.17670 -10.32411 -10.32366 -10.32335 -10.32276 -10.24440 -10.17205 -10.17122 -3.15899 -3.14042 -1.96066 -1.96001 -1.95601 -1.94447 -1.94443 -1.92495 -1.09950 -1.09379 -1.09349 -1.09308 -1.04598 -1.01629 -1.01158 -1.01035 -1.00972 -0.78053 -0.69411 -0.63030 -0.62306 -0.61748 -0.61196 -0.61131 -0.52498 -0.51653 -0.51198 -0.51166 -0.51109 -0.50233 -0.49769 -0.49095 -0.48962 -0.48573 -0.47700 -0.44924 -0.44877 -0.43673 -0.43071 -0.42682 -0.39294 -0.38381 -0.38040 -0.37172 -0.36732 -0.36436 -0.34686 -0.34107 -0.34011 -0.33792 -0.33702 -0.33191 -0.33165 -0.32373 -0.32187 -0.31455 -0.30830 -0.28589 -0.28395 -0.28167 -0.27911 -0.23654 -0.23493 -0.23421 -0.09707 -0.07510 -0.05578 -0.00790 -0.00727 -0.00101 0.00711 0.01084 0.02193 0.03034 0.03179 0.04603 0.04996 0.08523 0.10451 0.12302 0.13362 0.13718 0.14204 0.14582 0.14704 0.14952 0.16331 0.17536 0.18347 0.19058 0.19471 0.20572 0.22202 0.22897 0.24500 0.25179 0.25986 0.28175 0.28960 0.29797 0.31136 0.31637 0.32530 0.34077 0.34352 0.36302 0.36543 0.37775 0.40323 0.46217 0.46467 0.48092 0.52423 0.52887 0.55142 0.56161 0.56986 0.57115 0.57334 0.57811 0.58044 0.58471 0.58955 0.59809 0.59847 0.61501 0.65902 0.67266 0.68350 0.70970 0.72387 0.74616 0.74768 0.75776 0.76940 0.77697 0.79665 0.81202 0.82405 0.82681 0.82853 0.82926 0.83807 0.84428 0.87618 0.87893 0.89819 0.90424 0.90836 0.92326 0.94323 0.95399 0.96163 0.96708 0.97968 0.99992 1.00675 1.01956 1.02206 1.05299 1.06122 1.06519 1.08462 1.08892 1.10244 1.11326 1.12466 1.12645 1.13551 1.14600 1.15739 1.18050 1.20002 1.22084 1.23348 1.26901 1.27151 1.28205 1.31186 1.33091 1.36606 1.40410 1.41287 1.41542 1.42716 1.43473 1.43563 1.44665 1.46259 1.47969 1.49193 1.51900 1.53119 1.56816 1.57989 1.61280 1.66680 1.66713 1.67628 1.68901 1.69259 1.69523 1.70149 1.70286 1.72173 1.74096 1.74299 1.75312 1.76256 1.77487 1.78471 1.78769 1.80155 1.81347 1.82244 1.86035 1.88406 1.88490 1.89741 1.91661 1.92853 1.94734 1.96931 1.99979 2.00727 2.00961 2.03136 2.05719 2.06691 2.07216 2.08723 2.12989 2.13784 2.16364 2.17713 2.18496 2.18791 2.19591 2.20682 2.23039 2.23917 2.24746 2.26436 2.31951 2.33266 2.34049 2.34184 2.35046 2.40284 2.49313 2.49795 2.50278 2.51121 2.51855 2.56389 2.59151 2.64547 2.64853 2.64951 2.65384 2.71564 2.84992 2.85637 2.86065 2.86661 2.86764 2.86924 2.87245 2.87677 2.88094 3.00864 3.02581 3.02691 3.03803 6.06849 7.36273 1-A. 4.6085 0.9545 0.7303 4.7627 -122.8166 -124.8504 -120.3987 4.4936 -0.6707 0.5363 -0.1280 -2.1618 2.2898 4.4936 -0.6707 0.5363 23.4234 -0.3514 7.0781 -32.2986 2.8927 9.3134 -18.0680 -0.9831 -1.0533 -0.1104 -3411.2687 -1154.2463 -1017.8536 -15.5066 51.8684 30.1191 3.0700 -14.1002 0.4028 -896.5807 -823.8031 -434.0228 -8.3246 -4.0594 -0.5195 PT47759.400S Sat Oct 5 12:31:25 2019 Mulliken 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 Rh Rh O C O H O C O H O C O H O C O H O H C H C H H H C H H H 0.586158 0.483009 -0.467838 0.445463 -0.475937 0.177227 -0.472389 0.446756 -0.475503 0.177604 -0.469057 0.447504 -0.476661 0.177110 -0.474083 0.448769 -0.474974 0.178117 -0.624627 0.458531 0.146982 0.182074 -0.463777 0.171760 0.162974 0.157740 -0.494904 0.197353 0.159018 0.165602 0.00000 -19.20330 -19.17896 -19.17889 -19.17835 -19.17828 -19.17267 -19.17263 -19.16009 -19.16005 -10.32339 -10.32331 -10.31550 -10.31545 -10.24975 -10.16675 -10.16456 -3.16303 -3.11755 -1.96481 -1.96234 -1.95995 -1.92605 -1.92424 -1.90107 -1.09963 -1.09585 -1.08546 -1.08264 -1.08142 -1.01684 -1.01389 -1.00103 -0.99908 -0.79300 -0.69941 -0.65024 -0.62939 -0.62367 -0.60725 -0.60664 -0.53454 -0.52742 -0.51891 -0.51849 -0.51269 -0.51197 -0.50072 -0.49822 -0.48414 -0.48349 -0.47538 -0.44904 -0.44699 -0.44452 -0.44360 -0.42521 -0.40512 -0.40308 -0.38024 -0.37476 -0.36892 -0.36336 -0.35416 -0.34402 -0.34065 -0.33774 -0.33107 -0.32811 -0.32407 -0.31728 -0.31637 -0.31217 -0.30131 -0.27916 -0.27305 -0.26053 -0.25621 -0.22583 -0.22026 -0.21948 -0.07317 -0.07099 -0.04397 -0.00548 -0.00386 0.00444 0.00944 0.01257 0.01938 0.03084 0.03305 0.04612 0.04915 0.08788 0.10605 0.12558 0.13602 0.14275 0.14557 0.14697 0.15187 0.15232 0.17115 0.18007 0.18756 0.19643 0.19980 0.22606 0.23185 0.24381 0.25000 0.25341 0.25573 0.29407 0.29580 0.29901 0.31927 0.32700 0.33838 0.34210 0.34678 0.37321 0.37467 0.39140 0.41170 0.46802 0.47273 0.49992 0.52181 0.52989 0.53918 0.56316 0.57071 0.57337 0.57698 0.58032 0.58371 0.58990 0.59200 0.59963 0.60245 0.62326 0.66830 0.67666 0.68720 0.68964 0.72125 0.74140 0.75597 0.76114 0.76537 0.77198 0.79952 0.81026 0.82552 0.83205 0.83525 0.83650 0.84605 0.87015 0.88366 0.90147 0.91024 0.91629 0.93487 0.94523 0.95280 0.95983 0.96830 0.98498 1.00602 1.00987 1.01757 1.02463 1.03866 1.04975 1.06172 1.07259 1.07840 1.08210 1.10461 1.10726 1.14044 1.14096 1.14326 1.14830 1.16275 1.20405 1.22963 1.23233 1.25064 1.27343 1.29437 1.29978 1.31238 1.32880 1.38724 1.39879 1.41595 1.42801 1.43183 1.43496 1.44046 1.45135 1.45669 1.46716 1.49626 1.50873 1.53139 1.54426 1.58229 1.58708 1.67377 1.67441 1.69064 1.69934 1.70087 1.70484 1.70702 1.71896 1.72714 1.74398 1.75691 1.75820 1.76823 1.78961 1.79242 1.80686 1.81616 1.82445 1.83940 1.86613 1.86751 1.88298 1.88513 1.92692 1.94296 1.95365 1.96542 2.00540 2.02541 2.04431 2.04870 2.05204 2.06600 2.08353 2.09916 2.11746 2.16074 2.16300 2.18015 2.18503 2.19844 2.20303 2.21198 2.23107 2.24690 2.28235 2.33063 2.33880 2.34195 2.34679 2.35749 2.37004 2.37177 2.50111 2.50342 2.51629 2.51913 2.54391 2.57626 2.59749 2.64657 2.65156 2.66068 2.66298 2.72644 2.84570 2.85746 2.86257 2.87454 2.87598 2.87988 2.88066 2.88240 2.89490 3.01833 3.03227 3.03456 3.05778 5.69702 8.60807 1-A. Mulliken 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 Rh Rh O C O H O C O H O C O H O C O H O H C H C H H H C H H H 0.602716 0.550651 -0.470876 0.442169 -0.497251 0.177237 -0.471454 0.442477 -0.497156 0.177284 -0.472658 0.437566 -0.471130 0.166375 -0.473114 0.437584 -0.471154 0.166387 -0.696187 0.484906 0.153521 0.207569 -0.486519 0.181300 0.172023 0.168263 -0.480783 0.179384 0.172050 0.168821 0.00000 6.9175 -0.0208 -0.0930 6.9182 -123.8346 -125.2218 -120.2278 -0.1440 0.7101 -0.4347 -0.7398 -2.1271 2.8669 -0.1440 0.7101 -0.4347 33.3379 0.6095 4.0365 -26.7248 -1.7533 5.9529 -11.3899 -0.9589 -3.8628 -1.0805 -3045.2077 -1251.8117 -1131.3688 -15.8071 82.6767 4.6288 -19.5882 17.0245 17.1698 -835.0916 -750.8477 -340.3204 -4.6092 -14.8570 -3.6871 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1170.211272 3.966E-9 4.532E-6 0.9723163,-0.1540496,-0.8182666,-1.3195579,-2.2139194,-2.6176885 C01 [X(C7H12O9Rh2)] -0.3776995 -0.3852185 1.794436 433.8804999999998 AuxInfo=1/0/N:23,27,21,19;4,3,5;8,7,9;12,11,13;16,15,17;1;2/E:(1,2);4*(2,3);;/CRV:;4*1.3,2-1,3-1;;/rA:30RhRhOC3OHOC3OHOC3OHOC3OHOHCHCHHHCHHH/rB:s1;s2;s3;s1s4;s4;s2;s7;s1s8;s8;s2;s11;s1s12;s12;s2;s15;s1s16;s16;;s19;s19;s21;s21;s23;s23;s23;s21;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-G19 ANNA MoleculeName AM64L-G09RevD.01 RB3LYP GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq 2 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq 1/10=4,29=7,30=1,38=1,40=1/1,3 2/12=2,40=1/2 3/5=7,6=2,11=2,14=-4,16=1,17=8,25=1,30=1,70=2,71=2,72=73,74=-5,75=-5,82=7,116=1,140=1/1,2,3 4/5=101/1 5/5=2,53=73,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 Molecule Name Redundant internal coordinates found in file. Structure from the checkpoint file: "/opt/net_scratch/Gau-24957.chk" PT5686.600S Sat Oct 5 14:06:44 2019 243.162 -1.236 201.036 1.250 0.082 201.261 350.459 -13.520 226.822 16.965 -2.369 231.980 -19.18328 -19.17937 -19.17866 -19.17810 -19.17760 -19.17757 -19.17732 -19.17706 -19.17670 -10.32411 -10.32366 -10.32335 -10.32276 -10.24440 -10.17205 -10.17122 -3.15899 -3.14042 -1.96066 -1.96001 -1.95601 -1.94447 -1.94443 -1.92495 -1.09950 -1.09379 -1.09349 -1.09308 -1.04598 -1.01629 -1.01158 -1.01035 -1.00972 -0.78053 -0.69411 -0.63030 -0.62306 -0.61748 -0.61196 -0.61131 -0.52498 -0.51653 -0.51198 -0.51166 -0.51109 -0.50233 -0.49769 -0.49095 -0.48962 -0.48573 -0.47700 -0.44924 -0.44877 -0.43673 -0.43071 -0.42682 -0.39294 -0.38381 -0.38040 -0.37172 -0.36732 -0.36436 -0.34686 -0.34107 -0.34011 -0.33792 -0.33702 -0.33191 -0.33165 -0.32373 -0.32187 -0.31455 -0.30830 -0.28589 -0.28395 -0.28167 -0.27911 -0.23654 -0.23493 -0.23421 -0.09707 -0.07510 -0.05578 -0.00790 -0.00727 -0.00101 0.00711 0.01084 0.02193 0.03034 0.03179 0.04603 0.04996 0.08523 0.10451 0.12302 0.13362 0.13718 0.14204 0.14582 0.14704 0.14952 0.16331 0.17536 0.18347 0.19058 0.19471 0.20572 0.22202 0.22897 0.24500 0.25179 0.25986 0.28175 0.28960 0.29797 0.31136 0.31637 0.32530 0.34077 0.34352 0.36302 0.36543 0.37775 0.40323 0.46217 0.46467 0.48092 0.52423 0.52887 0.55142 0.56161 0.56986 0.57115 0.57334 0.57811 0.58044 0.58471 0.58955 0.59809 0.59847 0.61501 0.65902 0.67266 0.68350 0.70970 0.72387 0.74616 0.74768 0.75776 0.76940 0.77697 0.79665 0.81202 0.82405 0.82681 0.82853 0.82926 0.83807 0.84428 0.87618 0.87893 0.89819 0.90424 0.90836 0.92326 0.94323 0.95399 0.96163 0.96708 0.97968 0.99992 1.00675 1.01956 1.02206 1.05299 1.06122 1.06519 1.08462 1.08892 1.10244 1.11326 1.12466 1.12645 1.13551 1.14600 1.15739 1.18050 1.20002 1.22084 1.23348 1.26901 1.27151 1.28205 1.31186 1.33091 1.36606 1.40410 1.41287 1.41542 1.42716 1.43473 1.43563 1.44665 1.46259 1.47969 1.49193 1.51900 1.53119 1.56816 1.57989 1.61280 1.66680 1.66713 1.67628 1.68901 1.69259 1.69523 1.70149 1.70286 1.72173 1.74096 1.74299 1.75312 1.76256 1.77487 1.78471 1.78769 1.80155 1.81347 1.82244 1.86035 1.88406 1.88490 1.89741 1.91661 1.92853 1.94734 1.96931 1.99979 2.00727 2.00961 2.03136 2.05719 2.06691 2.07216 2.08723 2.12989 2.13784 2.16364 2.17713 2.18496 2.18791 2.19591 2.20682 2.23039 2.23917 2.24746 2.26436 2.31951 2.33266 2.34049 2.34184 2.35046 2.40284 2.49313 2.49795 2.50278 2.51121 2.51855 2.56389 2.59151 2.64547 2.64853 2.64951 2.65384 2.71564 2.84992 2.85637 2.86065 2.86661 2.86764 2.86924 2.87245 2.87677 2.88094 3.00864 3.02581 3.02691 3.03803 6.06849 7.36273 1-A. Mulliken 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 Rh Rh O C O H O C O H O C O H O C O H O H C H C H H H C H H H 0.586158 0.483009 -0.467839 0.445464 -0.475937 0.177227 -0.472389 0.446756 -0.475503 0.177604 -0.469057 0.447504 -0.476661 0.177110 -0.474083 0.448769 -0.474974 0.178117 -0.624627 0.458531 0.146982 0.182074 -0.463777 0.171760 0.162974 0.157740 -0.494904 0.197353 0.159018 0.165602 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 7 8 9 11 12 13 15 16 17 19 21 23 27 Rh Rh O C O O C O O C O O C O O C C C 0.586158 0.483009 -0.467839 0.622691 -0.475937 -0.472389 0.624360 -0.475503 -0.469057 0.624613 -0.476661 -0.474083 0.626886 -0.474974 -0.166096 0.329056 0.028697 0.027068 0.00000 4.6085 0.9545 0.7303 4.7627 -122.8166 -124.8504 -120.3987 4.4936 -0.6707 0.5363 -0.1280 -2.1618 2.2898 4.4936 -0.6707 0.5363 23.4234 -0.3514 7.0781 -32.2986 2.8927 9.3134 -18.0680 -0.9831 -1.0533 -0.1104 -3411.2688 -1154.2463 -1017.8535 -15.5066 51.8684 30.1191 3.0700 -14.1002 0.4028 -896.5807 -823.8031 -434.0227 -8.3246 -4.0594 -0.5195 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1170.211272 1.996E-9 4.536E-6 0.2114271 0.2324722 C01 [X(C7H12O9Rh2)] -0.3776999 -0.3852183 1.7944346 1.7983861 0.003172 -0.0064068 0.0050163 1.7886559 -0.0603533 0.0337552 -0.0820427 0.0493255 1.6023183 0.0268569 0.0023346 0.0321746 1.6171582 -0.1062671 -0.0963115 -0.0071253 1.628207 -0.6857119 -0.5205149 -0.1604143 -0.5194201 -0.9347546 -0.2606765 -0.1421578 -0.2334434 -1.1059917 0.6388342 0.4128122 0.0127096 0.4039681 0.8259954 0.0805515 0.0087661 0.0925892 1.8708571 -0.6849787 -0.5017769 0.206641 -0.4969257 -0.8832889 0.2289106 0.1501552 0.1399741 -1.1313171 -0.0256617 -0.1501171 0.0047141 -0.1481906 -0.0895434 0.0058879 -0.0004523 0.0003271 0.1103484 -0.8988015 0.5050399 -0.2777452 0.5031439 -0.6770434 0.1971039 -0.2453487 0.1737435 -1.0958971 0.8155869 -0.412277 0.0384569 -0.4046035 0.6485575 0.0357899 0.0565754 0.0143273 1.8562148 -0.8954325 0.515993 0.2073634 0.5077461 -0.6974745 -0.2152843 0.1303395 -0.1394647 -1.0658237 -0.0876201 0.1491419 -0.0088365 0.1473956 -0.0253519 0.0076938 -0.0153221 0.0131324 0.1091263 -0.6969371 -0.5101107 0.2342027 -0.5158849 -0.8879998 0.2505934 0.2004736 0.2051047 -1.0492664 0.6462713 0.4092924 -0.0334299 0.411496 0.8162162 0.0352722 -0.0533862 0.0125127 1.8451374 -0.6918716 -0.5159405 -0.1545962 -0.5190144 -0.9202858 -0.2355852 -0.1008805 -0.1673597 -1.08296 -0.0277721 -0.1498846 0.0072564 -0.1508753 -0.0891536 0.0097571 0.0134944 0.0173881 0.1094009 -0.9153233 0.5268531 0.22799 0.5306348 -0.7098588 -0.2149612 0.1864026 -0.1807417 -1.0486005 0.8204945 -0.4095071 -0.0012981 -0.4140764 0.6500249 0.0665407 -0.0256025 0.0830996 1.8400034 -0.9000612 0.494803 -0.2463811 0.5007605 -0.6723426 0.1639765 -0.1795136 0.1128002 -1.1035048 -0.088289 0.1480836 -0.0080836 0.1496399 -0.0252612 0.0070567 -0.0014463 0.0018425 0.1110502 -0.8077131 -0.0523539 0.546019 -0.0501849 -0.4079554 -0.1402033 0.3362729 -0.1949627 -1.715533 0.3766708 0.0372692 0.0980744 0.07697 0.2892381 -0.0197574 0.0074719 0.0664962 0.205039 0.8007103 0.0175359 -0.8980708 0.0329898 0.4946722 0.2101043 -0.3052911 0.1462034 0.8004953 -0.0213735 0.026711 0.0018988 0.0407849 -0.0477376 0.0518391 -0.0600994 0.0655951 -0.0182538 0.0608084 -0.0468138 0.1583865 -0.0383499 0.0517469 -0.1056227 0.0395608 -0.0855524 -0.07249 0.0181014 -0.1207688 -0.0146611 -0.1138746 -0.1126567 0.0172019 0.0103094 0.0337277 0.037393 -0.0819996 0.0416535 0.0939447 0.0304305 0.0680069 -0.0737609 0.0900396 -0.046211 -0.0828369 -0.0123942 0.0730038 -0.1098352 0.1098003 -0.0435055 0.0883276 -0.0671325 0.0302489 -0.0064704 -0.0011387 -0.0870948 0.1342936 -0.1478142 -0.0466747 -0.032182 0.0333128 -0.0903296 0.0049466 0.081655 -0.0371553 -0.0863723 -0.0448009 0.0014913 -0.0688303 -0.0558016 -0.0696812 -0.0040379 -0.0513289 0.1078094 -0.1048488 0.0451958 -0.0347706 0.0716812 -0.0704605 0.0933874 0.0107497 -0.0854285 0.0182849 0.1366944 0.0358684 0.0538957 0.0051959 0.1222771 -0.0055857 -0.0053112 202.0979983|-0.4846368|201.3172079|-6.6488726|2.1435982|242.0431232 433.8804999999998 AuxInfo=1/0/N:23,27,21,19;4,3,5;8,7,9;12,11,13;16,15,17;1;2/E:(1,2);4*(2,3);;/CRV:;4*1.3,2-1,3-1;;/rA:30RhRhOC3OHOC3OHOC3OHOC3OHOHCHCHHHCHHH/rB:s1;s2;s3;s1s4;s4;s2;s7;s1s8;s8;s2;s11;s1s12;s12;s2;s15;s1s16;s16;;s19;s19;s21;s21;s23;s23;s23;s21;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;