Gaussian 16 7-Dec-2023 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RPBEPBE Gen SP #P# PBEPBE/GEN 5D 7F # NOSYMM # GFINPUT # INT=ULTRAFINE # EMPIRICALDISPERSION=GD3BJ # IOP(3/174=1000000,3/175=358940,3/177=12092,3/178=5938951) # SCRF=(SMD,SOLVENT=WATER) # SCF=(VSHIFT=300,NOSYM,NOVARACC,MAXCYCLE=200,CONVER=5) # SP 376.1931999999999 -4 1 AuxInfo=1/0/N:4,20,7,30,17,46,33,43,10,23,36,49,13,26,39,52,3,16,29,42,1,2,14,15,27,28,40,41/E:(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)/CRV:13.3,14.3,15.3,16.3,21.1,22.1,23.1,24.1,25.1,26.1,27.1,28.1/rA:52O1O1NCHHCHHCHHC3O1O1NCHHCHHCHHC3O1O1NCHHCHHCHHC3O1O1NCHHCHHCHHC3/rB:;;s3;s4;s4;s3;s7;s7;s3;s10;s10;s1s2s10;;;;s16;s17;s17;s4s16;s20;s20;s16;s23;s23;s14s15s23;;;;s7s29;s30;s30;s29;s33;s33;s29;s36;s36;s27s28s36;;;;s33s42;s43;s43;s17s42;s46;s46;s42;s49;s49;s40s41s49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /cluster/software/Gaussian/g16_C.01/l1.exe "/cluster/work/users/marcof/5472746/DOTA_fromZr-DOTA_conf0/Gau-2959890.inp" -scrdir="/cluster/work/users/marcof/5472746/DOTA_fromZr-DOTA_conf0/" MEM=30000MB NPROCSHARED=32 LINDAWORKERS=cib13-8:1 CHK=DOTA_fromZr-DOTA_conf0 #P # PBEPBE/GEN 5D 7F # NOSYMM # GFINPUT # INT=ULTRAFINE # EMPIRICALDI 1/38=1,172=1/1 2/12=2,15=1,17=6,18=5,40=1/2 3/5=7,8=11,11=2,24=10,25=1,30=1,70=32201,72=1,74=1009,75=-5,124=41,174=1000000,175=358940,177=12092,178=5938951/1,2,3 4/9=2/1 5/5=2,6=5,7=200,10=300,38=1,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 SINGLE POINT - PBEPBE-GD3MBJ-SMDwater_def2-QZVP-QZVPD-SDD 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 16 16 14 12 1 1 12 1 1 12 1 1 12 16 16 14 12 1 1 12 1 1 12 1 1 12 16 16 14 12 1 1 12 1 1 12 1 1 12 16 16 14 12 1 1 12 1 1 12 1 1 12 15.9949146 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 0 0 2 0 1 1 0 1 1 0 1 1 0 0 0 2 0 1 1 0 1 1 0 1 1 0 0 0 2 0 1 1 0 1 1 0 1 1 0 0 0 2 0 1 1 0 1 1 0 1 1 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 (Enter /cluster/software/Gaussian/g16_C.01/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. NBasis= 2412 RedAO= T EigKep= 1.96D-06 NBF= 2412 NBsUse= 2412 1.00D-06 EigRej= -1.00D+00 NBFU= 2412 (5D, 7F) 1 S 8 1.000 1.1650646908e+05 1.7504349724e+04 3.9934513230e+03 1.1330063186e+03 3.6999569594e+02 1.3362074349e+02 5.2035643649e+01 2.1461939313e+01 4.0383857939e-05 3.1255139004e-04 1.6341473495e-03 6.8283224757e-03 2.4124410221e-02 7.2730206154e-02 1.7934429892e-01 3.3059588895e-01 S 2 1.000 8.9835051252e+01 2.6428010844e+01 9.6468652996e-02 9.4117481120e-01 S 1 1.000 9.2822824649e+00 1.0000000000e+00 S 1 1.000 4.0947728533e+00 1.0000000000e+00 S 1 1.000 1.3255349078e+00 1.0000000000e+00 S 1 1.000 5.1877230787e-01 1.0000000000e+00 S 1 1.000 1.9772676454e-01 1.0000000000e+00 S 1 1.000 6.9638535104e-02 1.0000000000e+00 P 5 1.000 1.9115255810e+02 4.5233356739e+01 1.4353465922e+01 5.2422371832e+00 2.0792418599e+00 2.5115697705e-03 2.0039240864e-02 9.3609064762e-02 3.0618127124e-01 6.7810501439e-01 P 1 1.000 8.4282371424e-01 1.0000000000e+00 P 1 1.000 3.3617694891e-01 1.0000000000e+00 P 1 1.000 1.2863997974e-01 1.0000000000e+00 P 1 1.000 4.3598162776e-02 1.0000000000e+00 D 1 1.000 3.7750000000e+00 1.0000000000e+00 D 1 1.000 1.3000000000e+00 1.0000000000e+00 D 1 1.000 4.4400000000e-01 1.0000000000e+00 D 1 1.000 1.2546378695e-01 1.0000000000e+00 F 1 1.000 2.6660000000e+00 1.0000000000e+00 F 1 1.000 8.5900000000e-01 1.0000000000e+00 G 1 1.000 1.8460000000e+00 1.0000000000e+00 2 S 8 1.000 1.1650646908e+05 1.7504349724e+04 3.9934513230e+03 1.1330063186e+03 3.6999569594e+02 1.3362074349e+02 5.2035643649e+01 2.1461939313e+01 4.0383857939e-05 3.1255139004e-04 1.6341473495e-03 6.8283224757e-03 2.4124410221e-02 7.2730206154e-02 1.7934429892e-01 3.3059588895e-01 S 2 1.000 8.9835051252e+01 2.6428010844e+01 9.6468652996e-02 9.4117481120e-01 S 1 1.000 9.2822824649e+00 1.0000000000e+00 S 1 1.000 4.0947728533e+00 1.0000000000e+00 S 1 1.000 1.3255349078e+00 1.0000000000e+00 S 1 1.000 5.1877230787e-01 1.0000000000e+00 S 1 1.000 1.9772676454e-01 1.0000000000e+00 S 1 1.000 6.9638535104e-02 1.0000000000e+00 P 5 1.000 1.9115255810e+02 4.5233356739e+01 1.4353465922e+01 5.2422371832e+00 2.0792418599e+00 2.5115697705e-03 2.0039240864e-02 9.3609064762e-02 3.0618127124e-01 6.7810501439e-01 P 1 1.000 8.4282371424e-01 1.0000000000e+00 P 1 1.000 3.3617694891e-01 1.0000000000e+00 P 1 1.000 1.2863997974e-01 1.0000000000e+00 P 1 1.000 4.3598162776e-02 1.0000000000e+00 D 1 1.000 3.7750000000e+00 1.0000000000e+00 D 1 1.000 1.3000000000e+00 1.0000000000e+00 D 1 1.000 4.4400000000e-01 1.0000000000e+00 D 1 1.000 1.2546378695e-01 1.0000000000e+00 F 1 1.000 2.6660000000e+00 1.0000000000e+00 F 1 1.000 8.5900000000e-01 1.0000000000e+00 G 1 1.000 1.8460000000e+00 1.0000000000e+00 3 S 8 1.000 9.0726889210e+04 1.3590528801e+04 3.0929883781e+03 8.7599876362e+02 2.8574469982e+02 1.0311913417e+02 4.0128556777e+01 1.6528095704e+01 3.9257887368e-05 3.0513316455e-04 1.6000560446e-03 6.6982937306e-03 2.3690078765e-02 7.1455405268e-02 1.7632774876e-01 3.2677592815e-01 S 2 1.000 6.9390960983e+01 2.0428200596e+01 8.0052094386e-02 7.8268063538e-01 S 1 1.000 7.1292587972e+00 1.0000000000e+00 S 1 1.000 3.1324304893e+00 1.0000000000e+00 S 1 1.000 9.8755778723e-01 1.0000000000e+00 S 1 1.000 3.8765721307e-01 1.0000000000e+00 S 1 1.000 1.4909883075e-01 1.0000000000e+00 S 1 1.000 6.2151630318e-02 1.0000000000e+00 P 5 1.000 1.5005742670e+02 3.5491599483e+01 1.1247864223e+01 4.0900305195e+00 1.6220573146e+00 -8.6216165986e-04 -6.8571273236e-03 -3.1795688855e-02 -1.0537396822e-01 -2.4519708041e-01 P 1 1.000 6.6442261530e-01 1.0000000000e+00 P 1 1.000 2.7099770070e-01 1.0000000000e+00 P 1 1.000 1.0688749984e-01 1.0000000000e+00 D 1 1.000 2.8370000000e+00 1.0000000000e+00 D 1 1.000 9.6800000000e-01 1.0000000000e+00 D 1 1.000 3.3500000000e-01 1.0000000000e+00 D 1 1.000 1.0825280010e-01 1.0000000000e+00 F 1 1.000 2.0270000000e+00 1.0000000000e+00 F 1 1.000 6.8500000000e-01 1.0000000000e+00 G 1 1.000 1.4270000000e+00 1.0000000000e+00 4 S 8 1.000 6.7025071029e+04 1.0039986538e+04 2.2849316911e+03 6.4714122130e+02 2.1109472335e+02 7.6177643862e+01 2.9633839163e+01 1.2187785081e+01 3.8736308501e-05 3.0107917575e-04 1.5787918095e-03 6.6087087195e-03 2.3367123250e-02 7.0420716898e-02 1.7360344953e-01 3.2292305648e-01 S 2 1.000 5.3026006299e+01 1.5258502776e+01 7.4897404492e-02 7.6136220983e-01 S 1 1.000 5.2403957464e+00 1.0000000000e+00 S 1 1.000 2.2905022379e+00 1.0000000000e+00 S 1 1.000 6.9673283006e-01 1.0000000000e+00 S 1 1.000 2.7599337363e-01 1.0000000000e+00 S 1 1.000 1.0739884389e-01 1.0000000000e+00 P 5 1.000 1.0512555082e+02 2.4884461066e+01 7.8637230826e+00 2.8407001835e+00 1.1227137335e+00 8.4647553844e-04 6.6274038534e-03 3.0120390419e-02 9.9951435476e-02 2.3826299282e-01 P 1 1.000 4.6050725555e-01 1.0000000000e+00 P 1 1.000 1.8937530913e-01 1.0000000000e+00 P 1 1.000 7.5983791611e-02 1.0000000000e+00 D 1 1.000 1.8480000000e+00 1.0000000000e+00 D 1 1.000 6.4900000000e-01 1.0000000000e+00 D 1 1.000 2.2800000000e-01 1.0000000000e+00 F 1 1.000 1.4190000000e+00 1.0000000000e+00 F 1 1.000 4.8500000000e-01 1.0000000000e+00 G 1 1.000 1.0110000000e+00 1.0000000000e+00 5 S 4 1.000 1.9069169000e+02 2.8605532000e+01 6.5095943000e+00 1.8412455000e+00 7.0815167000e-04 5.4678827000e-03 2.7966605000e-02 1.0764538000e-01 S 1 1.000 5.9853725000e-01 1.0000000000e+00 S 1 1.000 2.1397624000e-01 1.0000000000e+00 S 1 1.000 8.0316286000e-02 1.0000000000e+00 P 1 1.000 2.2920000000e+00 1.0000000000e+00 P 1 1.000 8.3800000000e-01 1.0000000000e+00 P 1 1.000 2.9200000000e-01 1.0000000000e+00 D 1 1.000 2.0620000000e+00 1.0000000000e+00 D 1 1.000 6.6200000000e-01 1.0000000000e+00 F 1 1.000 1.3970000000e+00 1.0000000000e+00 6 S 4 1.000 1.9069169000e+02 2.8605532000e+01 6.5095943000e+00 1.8412455000e+00 7.0815167000e-04 5.4678827000e-03 2.7966605000e-02 1.0764538000e-01 S 1 1.000 5.9853725000e-01 1.0000000000e+00 S 1 1.000 2.1397624000e-01 1.0000000000e+00 S 1 1.000 8.0316286000e-02 1.0000000000e+00 P 1 1.000 2.2920000000e+00 1.0000000000e+00 P 1 1.000 8.3800000000e-01 1.0000000000e+00 P 1 1.000 2.9200000000e-01 1.0000000000e+00 D 1 1.000 2.0620000000e+00 1.0000000000e+00 D 1 1.000 6.6200000000e-01 1.0000000000e+00 F 1 1.000 1.3970000000e+00 1.0000000000e+00 7 S 8 1.000 6.7025071029e+04 1.0039986538e+04 2.2849316911e+03 6.4714122130e+02 2.1109472335e+02 7.6177643862e+01 2.9633839163e+01 1.2187785081e+01 3.8736308501e-05 3.0107917575e-04 1.5787918095e-03 6.6087087195e-03 2.3367123250e-02 7.0420716898e-02 1.7360344953e-01 3.2292305648e-01 S 2 1.000 5.3026006299e+01 1.5258502776e+01 7.4897404492e-02 7.6136220983e-01 S 1 1.000 5.2403957464e+00 1.0000000000e+00 S 1 1.000 2.2905022379e+00 1.0000000000e+00 S 1 1.000 6.9673283006e-01 1.0000000000e+00 S 1 1.000 2.7599337363e-01 1.0000000000e+00 S 1 1.000 1.0739884389e-01 1.0000000000e+00 P 5 1.000 1.0512555082e+02 2.4884461066e+01 7.8637230826e+00 2.8407001835e+00 1.1227137335e+00 8.4647553844e-04 6.6274038534e-03 3.0120390419e-02 9.9951435476e-02 2.3826299282e-01 P 1 1.000 4.6050725555e-01 1.0000000000e+00 P 1 1.000 1.8937530913e-01 1.0000000000e+00 P 1 1.000 7.5983791611e-02 1.0000000000e+00 D 1 1.000 1.8480000000e+00 1.0000000000e+00 D 1 1.000 6.4900000000e-01 1.0000000000e+00 D 1 1.000 2.2800000000e-01 1.0000000000e+00 F 1 1.000 1.4190000000e+00 1.0000000000e+00 F 1 1.000 4.8500000000e-01 1.0000000000e+00 G 1 1.000 1.0110000000e+00 1.0000000000e+00 8 S 4 1.000 1.9069169000e+02 2.8605532000e+01 6.5095943000e+00 1.8412455000e+00 7.0815167000e-04 5.4678827000e-03 2.7966605000e-02 1.0764538000e-01 S 1 1.000 5.9853725000e-01 1.0000000000e+00 S 1 1.000 2.1397624000e-01 1.0000000000e+00 S 1 1.000 8.0316286000e-02 1.0000000000e+00 P 1 1.000 2.2920000000e+00 1.0000000000e+00 P 1 1.000 8.3800000000e-01 1.0000000000e+00 P 1 1.000 2.9200000000e-01 1.0000000000e+00 D 1 1.000 2.0620000000e+00 1.0000000000e+00 D 1 1.000 6.6200000000e-01 1.0000000000e+00 F 1 1.000 1.3970000000e+00 1.0000000000e+00 9 S 4 1.000 1.9069169000e+02 2.8605532000e+01 6.5095943000e+00 1.8412455000e+00 7.0815167000e-04 5.4678827000e-03 2.7966605000e-02 1.0764538000e-01 S 1 1.000 5.9853725000e-01 1.0000000000e+00 S 1 1.000 2.1397624000e-01 1.0000000000e+00 S 1 1.000 8.0316286000e-02 1.0000000000e+00 P 1 1.000 2.2920000000e+00 1.0000000000e+00 P 1 1.000 8.3800000000e-01 1.0000000000e+00 P 1 1.000 2.9200000000e-01 1.0000000000e+00 D 1 1.000 2.0620000000e+00 1.0000000000e+00 D 1 1.000 6.6200000000e-01 1.0000000000e+00 F 1 1.000 1.3970000000e+00 1.0000000000e+00 10 S 8 1.000 6.7025071029e+04 1.0039986538e+04 2.2849316911e+03 6.4714122130e+02 2.1109472335e+02 7.6177643862e+01 2.9633839163e+01 1.2187785081e+01 3.8736308501e-05 3.0107917575e-04 1.5787918095e-03 6.6087087195e-03 2.3367123250e-02 7.0420716898e-02 1.7360344953e-01 3.2292305648e-01 S 2 1.000 5.3026006299e+01 1.5258502776e+01 7.4897404492e-02 7.6136220983e-01 S 1 1.000 5.2403957464e+00 1.0000000000e+00 S 1 1.000 2.2905022379e+00 1.0000000000e+00 S 1 1.000 6.9673283006e-01 1.0000000000e+00 S 1 1.000 2.7599337363e-01 1.0000000000e+00 S 1 1.000 1.0739884389e-01 1.0000000000e+00 P 5 1.000 1.0512555082e+02 2.4884461066e+01 7.8637230826e+00 2.8407001835e+00 1.1227137335e+00 8.4647553844e-04 6.6274038534e-03 3.0120390419e-02 9.9951435476e-02 2.3826299282e-01 P 1 1.000 4.6050725555e-01 1.0000000000e+00 P 1 1.000 1.8937530913e-01 1.0000000000e+00 P 1 1.000 7.5983791611e-02 1.0000000000e+00 D 1 1.000 1.8480000000e+00 1.0000000000e+00 D 1 1.000 6.4900000000e-01 1.0000000000e+00 D 1 1.000 2.2800000000e-01 1.0000000000e+00 F 1 1.000 1.4190000000e+00 1.0000000000e+00 F 1 1.000 4.8500000000e-01 1.0000000000e+00 G 1 1.000 1.0110000000e+00 1.0000000000e+00 11 S 4 1.000 1.9069169000e+02 2.8605532000e+01 6.5095943000e+00 1.8412455000e+00 7.0815167000e-04 5.4678827000e-03 2.7966605000e-02 1.0764538000e-01 S 1 1.000 5.9853725000e-01 1.0000000000e+00 S 1 1.000 2.1397624000e-01 1.0000000000e+00 S 1 1.000 8.0316286000e-02 1.0000000000e+00 P 1 1.000 2.2920000000e+00 1.0000000000e+00 P 1 1.000 8.3800000000e-01 1.0000000000e+00 P 1 1.000 2.9200000000e-01 1.0000000000e+00 D 1 1.000 2.0620000000e+00 1.0000000000e+00 D 1 1.000 6.6200000000e-01 1.0000000000e+00 F 1 1.000 1.3970000000e+00 1.0000000000e+00 12 S 4 1.000 1.9069169000e+02 2.8605532000e+01 6.5095943000e+00 1.8412455000e+00 7.0815167000e-04 5.4678827000e-03 2.7966605000e-02 1.0764538000e-01 S 1 1.000 5.9853725000e-01 1.0000000000e+00 S 1 1.000 2.1397624000e-01 1.0000000000e+00 S 1 1.000 8.0316286000e-02 1.0000000000e+00 P 1 1.000 2.2920000000e+00 1.0000000000e+00 P 1 1.000 8.3800000000e-01 1.0000000000e+00 P 1 1.000 2.9200000000e-01 1.0000000000e+00 D 1 1.000 2.0620000000e+00 1.0000000000e+00 D 1 1.000 6.6200000000e-01 1.0000000000e+00 F 1 1.000 1.3970000000e+00 1.0000000000e+00 13 S 8 1.000 6.7025071029e+04 1.0039986538e+04 2.2849316911e+03 6.4714122130e+02 2.1109472335e+02 7.6177643862e+01 2.9633839163e+01 1.2187785081e+01 3.8736308501e-05 3.0107917575e-04 1.5787918095e-03 6.6087087195e-03 2.3367123250e-02 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1 1.000 8.3800000000e-01 1.0000000000e+00 P 1 1.000 2.9200000000e-01 1.0000000000e+00 D 1 1.000 2.0620000000e+00 1.0000000000e+00 D 1 1.000 6.6200000000e-01 1.0000000000e+00 F 1 1.000 1.3970000000e+00 1.0000000000e+00 52 S 8 1.000 6.7025071029e+04 1.0039986538e+04 2.2849316911e+03 6.4714122130e+02 2.1109472335e+02 7.6177643862e+01 2.9633839163e+01 1.2187785081e+01 3.8736308501e-05 3.0107917575e-04 1.5787918095e-03 6.6087087195e-03 2.3367123250e-02 7.0420716898e-02 1.7360344953e-01 3.2292305648e-01 S 2 1.000 5.3026006299e+01 1.5258502776e+01 7.4897404492e-02 7.6136220983e-01 S 1 1.000 5.2403957464e+00 1.0000000000e+00 S 1 1.000 2.2905022379e+00 1.0000000000e+00 S 1 1.000 6.9673283006e-01 1.0000000000e+00 S 1 1.000 2.7599337363e-01 1.0000000000e+00 S 1 1.000 1.0739884389e-01 1.0000000000e+00 P 5 1.000 1.0512555082e+02 2.4884461066e+01 7.8637230826e+00 2.8407001835e+00 1.1227137335e+00 8.4647553844e-04 6.6274038534e-03 3.0120390419e-02 9.9951435476e-02 2.3826299282e-01 P 1 1.000 4.6050725555e-01 1.0000000000e+00 P 1 1.000 1.8937530913e-01 1.0000000000e+00 P 1 1.000 7.5983791611e-02 1.0000000000e+00 D 1 1.000 1.8480000000e+00 1.0000000000e+00 D 1 1.000 6.4900000000e-01 1.0000000000e+00 D 1 1.000 2.2800000000e-01 1.0000000000e+00 F 1 1.000 1.4190000000e+00 1.0000000000e+00 F 1 1.000 4.8500000000e-01 1.0000000000e+00 G 1 1.000 1.0110000000e+00 1.0000000000e+00 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE 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=141 52 52 52 1.00e+00 60 F Grimme-D3(BJ) -0.0885717876 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 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 0 376.1931999999999 AuxInfo=1/0/N:4,20,7,30,17,46,33,43,10,23,36,49,13,26,39,52,3,16,29,42,1,2,14,15,27,28,40,41/E:(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)/CRV:13.3,14.3,15.3,16.3,21.1,22.1,23.1,24.1,25.1,26.1,27.1,28.1/rA:52O1O1NCHHCHHCHHC3O1O1NCHHCHHCHHC3O1O1NCHHCHHCHHC3O1O1NCHHCHHCHHC3/rB:;;s3;s4;s4;s3;s7;s7;s3;s10;s10;s1s2s10;;;;s16;s17;s17;s4s16;s20;s20;s16;s23;s23;s14s15s23;;;;s7s29;s30;s30;s29;s33;s33;s29;s36;s36;s27s28s36;;;;s33s42;s43;s43;s17s42;s46;s46;s42;s49;s49;s40s41s49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2047093 0.2030271 0.1519930 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 2857 2857 2857 2857 2857 MxSgAt= 52 MxSgA2= 52. 1 Closed 1 1 1 -1443.63109137521 -1444.20534858713 -0.574257211916 -1444.46228509120 -0.256936504069 -1444.53366069814 -0.071375606938 -1444.55126625134 -0.017605553209 -1444.55313570768 -0.001869456333 -1444.55336281614 -0.000227108464 -1444.55338793676 -0.000025120621 -1444.55338794 8 1.438677476523e+03 -9.783499764202e+03 3.757757679253e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3932160000 LenX= 3914476766 LenY= 3905688506 Requested convergence on RMS density matrix=1.00D-05 within 200 cycles. Requested convergence on MAX density matrix=1.00D-03. Requested convergence on energy=1.00D-03. Virtual orbitals will be shifted by 0.300 hartree. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 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2.15438 2.16134 2.16596 2.16651 2.16794 2.17431 2.17676 2.17892 2.19142 2.19384 2.19500 2.19813 2.20943 2.21192 2.21314 2.21647 2.22024 2.22167 2.22947 2.23415 2.23785 2.23879 2.24163 2.24641 2.25558 2.25709 2.25953 2.26194 2.26399 2.26829 2.27043 2.27383 2.27721 2.28103 2.28566 2.28810 2.29055 2.29352 2.29473 2.30328 2.30777 2.30855 2.31155 2.31213 2.31551 2.33030 2.33290 2.33414 2.33438 2.33930 2.34126 2.34181 2.34803 2.34951 2.35344 2.35645 2.36608 2.36797 2.37152 2.37452 2.37696 2.38154 2.38239 2.38848 2.39314 2.40140 2.40597 2.40723 2.40971 2.41677 2.41832 2.41989 2.42876 2.43020 2.43211 2.43789 2.43917 2.44420 2.44739 2.45245 2.45885 2.46202 2.46869 2.47411 2.48041 2.48180 2.48418 2.48848 2.49199 2.49434 2.49641 2.49797 2.50623 2.51025 2.51677 2.51944 2.52216 2.52648 2.52895 2.53041 2.53659 2.53986 2.54238 2.54582 2.54875 2.55678 2.56073 2.57298 2.57364 2.57838 2.58189 2.58345 2.58433 2.58976 2.59158 2.59366 2.59663 2.59767 2.60202 2.60296 2.60906 2.61450 2.62437 2.62480 2.62798 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3.17708 3.18250 3.19259 3.19379 3.20178 3.20606 3.20712 3.20974 3.21911 3.22424 3.22739 3.23618 3.24119 3.24386 3.24602 3.24714 3.25010 3.25310 3.25771 3.26666 3.26834 3.27276 3.27954 3.28216 3.28425 3.29373 3.29957 3.30165 3.30306 3.30492 3.31233 3.31337 3.31953 3.33012 3.33047 3.33821 3.34762 3.35254 3.35521 3.36115 3.36456 3.36654 3.36819 3.37250 3.38063 3.38141 3.38379 3.38851 3.39044 3.39889 3.40165 3.40997 3.41291 3.41815 3.42022 3.43178 3.43522 3.43772 3.44268 3.44393 3.44644 3.45231 3.45464 3.46210 3.46297 3.46895 3.47640 3.47804 3.48231 3.48401 3.48578 3.48852 3.49158 3.50125 3.50849 3.51295 3.51830 3.52058 3.52439 3.52956 3.53201 3.53600 3.54276 3.54848 3.55000 3.55355 3.55678 3.55893 3.55977 3.56774 3.57465 3.57981 3.58705 3.59447 3.59600 3.59752 3.60218 3.60626 3.61238 3.61351 3.61888 3.62317 3.63104 3.63596 3.63818 3.64148 3.65034 3.65116 3.65416 3.65865 3.65962 3.66259 3.66865 3.67127 3.67925 3.69202 3.69951 3.70017 3.70406 3.70561 3.71145 3.71778 3.72154 3.72414 3.73414 3.73651 3.74399 3.74622 3.74888 3.75177 3.75879 3.76261 3.76611 3.77114 3.77769 3.77863 3.78107 3.80175 3.81563 3.81938 3.82021 3.82336 3.83020 3.84078 3.84403 3.84741 3.85612 3.86138 3.86208 3.86550 3.87314 3.87659 3.88106 3.88370 3.88992 3.89608 3.89857 3.90970 3.91470 3.91960 3.92390 3.92897 3.93057 3.93728 3.94104 3.94352 3.95198 3.95461 3.95738 3.95905 3.96238 3.96304 3.97026 3.97313 3.97658 3.98636 3.99424 3.99585 4.00653 4.01275 4.01885 4.02292 4.02802 4.03201 4.03896 4.04125 4.04452 4.04497 4.05293 4.05725 4.06070 4.06278 4.06768 4.07201 4.08559 4.09085 4.09917 4.10336 4.10669 4.10882 4.11593 4.12079 4.12647 4.12924 4.13152 4.14261 4.14439 4.15501 4.15692 4.17673 4.18037 4.18296 4.18553 4.19436 4.19667 4.20131 4.20333 4.20703 4.21812 4.22644 4.23474 4.23943 4.24027 4.24355 4.25245 4.25663 4.26159 4.26490 4.27378 4.27742 4.28177 4.28622 4.28983 4.29207 4.31031 4.31148 4.32295 4.32608 4.32852 4.33382 4.33543 4.33798 4.35868 4.36312 4.36559 4.36888 4.39176 4.39459 4.39557 4.40572 4.41979 4.42364 4.42458 4.42891 4.44650 4.44981 4.45614 4.46710 4.47753 4.48272 4.48679 4.49936 4.51552 4.52590 4.53112 4.54150 4.54334 4.54834 4.54989 4.56099 4.56274 4.58610 4.59416 4.59996 4.60301 4.60446 4.60885 4.61475 4.61928 4.62358 4.64808 4.65543 4.65892 4.67590 4.69518 4.69982 4.71126 4.71235 4.72529 4.73217 4.73732 4.73913 4.74434 4.74873 4.75598 4.76469 4.78231 4.78396 4.78970 4.79295 4.81425 4.82218 4.83615 4.84479 4.85326 4.86027 4.86408 4.88696 4.88769 4.89957 4.90616 4.92929 4.93310 4.93857 4.95477 4.96364 4.97347 4.97365 4.99695 4.99934 5.00225 5.02221 5.02978 5.04417 5.05081 5.05429 5.06872 5.08161 5.08806 5.08910 5.09305 5.09717 5.09884 5.10395 5.13057 5.13246 5.13511 5.13831 5.14529 5.16283 5.17300 5.18570 5.18807 5.20030 5.20478 5.20689 5.22095 5.22857 5.23289 5.23352 5.24319 5.24599 5.24947 5.25050 5.26905 5.27003 5.27309 5.27450 5.29562 5.29843 5.29888 5.31040 5.31210 5.32305 5.32395 5.32619 5.34242 5.35811 5.36272 5.38412 5.38934 5.39756 5.39885 5.40356 5.40628 5.42624 5.42976 5.45056 5.46214 5.47318 5.49988 5.50137 5.52106 5.54181 5.55092 5.55666 5.56756 5.59425 5.59780 5.60236 5.60998 5.61255 5.62485 5.63332 5.63733 5.64005 5.64341 5.66733 5.67506 5.67701 5.68019 5.69229 5.69694 5.70193 5.70276 5.70861 5.71098 5.71773 5.72108 5.72172 5.72524 5.72976 5.73745 5.73932 5.74406 5.74551 5.74818 5.75802 5.76028 5.77056 5.77628 5.77663 5.77947 5.79148 5.79868 5.79948 5.80638 5.81034 5.81189 5.82985 5.83315 5.83392 5.83792 5.83932 5.84044 5.84665 5.84902 5.85395 5.86283 5.86428 5.86999 5.87285 5.88182 5.88368 5.88459 5.88891 5.89180 5.89536 5.90950 5.91892 5.92195 5.92547 5.92904 5.93202 5.94619 5.95168 5.95349 5.95660 5.95994 5.96453 5.96728 5.98295 5.98476 5.98659 5.99212 5.99461 6.00510 6.00551 6.01143 6.01670 6.02363 6.03025 6.03055 6.03693 6.03856 6.04361 6.04494 6.05399 6.05733 6.05990 6.06033 6.06849 6.07251 6.07545 6.08027 6.08309 6.09029 6.09296 6.09377 6.09863 6.09931 6.10384 6.10649 6.10924 6.12071 6.12364 6.12529 6.12918 6.13222 6.13430 6.15586 6.16166 6.16225 6.16584 6.16795 6.17104 6.17941 6.18082 6.18899 6.19291 6.19647 6.20208 6.20548 6.21048 6.21279 6.22303 6.22560 6.22851 6.22962 6.23222 6.23565 6.23725 6.24829 6.25033 6.25451 6.25588 6.26658 6.26714 6.27047 6.27839 6.28821 6.29156 6.29381 6.29428 6.30021 6.30202 6.30390 6.30901 6.31334 6.31592 6.31937 6.32988 6.33599 6.34329 6.34766 6.35463 6.36061 6.36669 6.37229 6.37654 6.38503 6.38735 6.38903 6.39097 6.39482 6.40839 6.41288 6.41590 6.41704 6.42296 6.42644 6.42750 6.43151 6.44377 6.44637 6.44949 6.45428 6.45814 6.46191 6.46452 6.48229 6.48591 6.48775 6.49111 6.49319 6.49700 6.50031 6.50866 6.51078 6.51547 6.51743 6.52030 6.53354 6.53493 6.54779 6.54883 6.55022 6.55757 6.55772 6.56593 6.56858 6.57395 6.58126 6.58278 6.59381 6.60321 6.60546 6.60680 6.62006 6.62066 6.62290 6.63696 6.63853 6.63982 6.64318 6.64573 6.64870 6.65336 6.66123 6.66264 6.66568 6.66739 6.67076 6.67863 6.68320 6.68582 6.69169 6.70491 6.70964 6.71571 6.71924 6.72369 6.72702 6.72927 6.73656 6.74268 6.74488 6.75679 6.76216 6.76672 6.76932 6.77525 6.77749 6.79286 6.80458 6.80555 6.81440 6.81775 6.83075 6.83301 6.84205 6.84612 6.85196 6.85349 6.86445 6.86475 6.86791 6.86827 6.87270 6.87400 6.87697 6.89052 6.89286 6.89543 6.89659 6.90032 6.90479 6.90636 6.91516 6.92165 6.92427 6.92904 6.94503 6.94686 6.94830 6.95680 6.97699 6.97995 6.98459 6.99108 6.99160 6.99305 7.00015 7.00344 7.01506 7.02395 7.02542 7.02751 7.02827 7.03028 7.03273 7.04380 7.04984 7.05337 7.05797 7.06948 7.07529 7.08179 7.08363 7.11051 7.11694 7.12046 7.12434 7.13513 7.13722 7.13990 7.14098 7.14513 7.19614 7.19781 7.19948 7.20259 7.21221 7.22032 7.22471 7.23594 7.24112 7.25287 7.25851 7.26676 7.26965 7.29812 7.30348 7.30678 7.31028 7.32147 7.32708 7.33390 7.34227 7.34935 7.35155 7.35388 7.36156 7.36779 7.36819 7.37813 7.38730 7.39088 7.39552 7.39700 7.40380 7.40738 7.41120 7.41598 7.41974 7.45161 7.45222 7.45802 7.45954 7.46422 7.46751 7.47418 7.47820 7.48380 7.48748 7.49319 7.49624 7.50942 7.51492 7.51536 7.52208 7.52795 7.52986 7.54353 7.54968 7.55394 7.55673 7.57109 7.57181 7.57839 7.58049 7.58472 7.59806 7.60220 7.60312 7.60359 7.61182 7.61512 7.61625 7.63194 7.64908 7.65528 7.65833 7.66225 7.66528 7.67108 7.67189 7.67549 7.68057 7.70708 7.71264 7.73164 7.74260 7.74478 7.75142 7.76165 7.76627 7.76876 7.77339 7.78447 7.78993 7.79857 7.80205 7.80232 7.82646 7.83063 7.83288 7.84616 7.85096 7.85185 7.85777 7.86340 7.87137 7.87450 7.88844 7.89185 7.89349 7.89560 7.90180 7.90248 7.90288 7.90909 7.91250 7.91745 7.93727 7.94605 7.95101 7.95373 7.95403 7.96870 7.97544 7.97862 7.98969 8.00082 8.00261 8.00547 8.00870 8.01688 8.02480 8.02658 8.04013 8.04260 8.04408 8.04816 8.06082 8.06252 8.06383 8.06905 8.07384 8.07442 8.07701 8.08920 8.09461 8.09769 8.10416 8.11071 8.11450 8.12232 8.12959 8.13198 8.13343 8.14662 8.14904 8.15306 8.15679 8.15996 8.16140 8.16475 8.17243 8.18135 8.18425 8.19341 8.19373 8.20393 8.21232 8.21536 8.21673 8.22435 8.22491 8.22809 8.22946 8.25472 8.25582 8.26554 8.26980 8.27835 8.28305 8.29512 8.29769 8.29864 8.30746 8.31213 8.32963 8.33600 8.34210 8.35005 8.35289 8.35907 8.36944 8.37313 8.37582 8.38323 8.39741 8.40328 8.40694 8.41502 8.41823 8.42701 8.43826 8.44900 8.45226 8.45741 8.46270 8.46772 8.47235 8.47770 8.48101 8.49036 8.49150 8.50092 8.50392 8.51519 8.52440 8.52591 8.53324 8.53548 8.54006 8.54995 8.55535 8.55803 8.56448 8.57336 8.57871 8.58213 8.59005 8.59350 8.60254 8.60925 8.61876 8.62140 8.62532 8.62971 8.63371 8.63743 8.64940 8.65306 8.65484 8.66179 8.66640 8.66751 8.67377 8.68285 8.68986 8.69200 8.69728 8.70281 8.70680 8.70891 8.71488 8.72585 8.73730 8.75732 8.76908 8.77431 8.78570 8.78784 8.79046 8.79200 8.79363 8.79494 8.79528 8.79829 8.80059 8.80266 8.80927 8.81383 8.82195 8.82293 8.82686 8.83598 8.84070 8.84346 8.84422 8.84665 8.84884 8.84954 8.85550 8.85946 8.86316 8.86670 8.87590 8.87830 8.88237 8.88911 8.89203 8.89317 8.90309 8.90754 8.91239 8.91391 8.92975 8.93476 8.93835 8.93995 8.94368 8.94691 8.94874 8.95028 8.95694 8.96020 8.96465 8.96942 8.97223 8.97398 8.97849 8.98251 8.98864 8.99108 8.99561 9.01599 9.01782 9.01931 9.02148 9.02374 9.03409 9.03609 9.03752 9.04488 9.04869 9.05321 9.05915 9.06190 9.06540 9.06901 9.07289 9.07609 9.08146 9.10336 9.10944 9.11703 9.11877 9.12055 9.13524 9.14146 9.14582 9.15161 9.15228 9.16126 9.16640 9.17677 9.18092 9.19718 9.20197 9.20534 9.20994 9.21618 9.24069 9.24791 9.25182 9.25373 9.25495 9.26201 9.26555 9.27516 9.28041 9.29707 9.30334 9.30861 9.31903 9.32387 9.33233 9.33412 9.35138 9.35897 9.36447 9.37916 9.38433 9.38715 9.39134 9.39391 9.40462 9.41757 9.42620 9.44311 9.45361 9.48470 9.48744 9.48979 9.49901 9.51510 9.51593 9.55484 9.56296 9.58028 9.58160 9.59081 9.60418 9.62873 9.63316 9.63497 9.63898 9.64951 9.65300 9.68168 9.68536 9.69473 9.69512 9.70471 9.72668 9.72845 9.73341 9.74287 9.74540 9.75856 9.76410 9.78111 9.78342 9.78524 9.78665 9.79840 9.80042 9.80177 9.80544 9.82408 9.82632 9.82875 9.83356 9.85770 9.86719 9.86987 9.87174 9.87492 9.89249 9.89735 9.89985 9.90104 9.91001 9.92848 9.93194 9.93660 9.95410 9.96776 9.96975 9.97862 9.99567 9.99932 10.00350 10.00721 10.00975 10.01387 10.03415 10.03609 10.04500 10.04792 10.05567 10.05886 10.05996 10.06098 10.06664 10.06887 10.09237 10.09374 10.09814 10.10666 10.11726 10.12126 10.12328 10.12587 10.13653 10.13882 10.14488 10.15626 10.16253 10.18301 10.18514 10.18823 10.19783 10.20708 10.21508 10.21863 10.22292 10.23175 10.23602 10.24284 10.25574 10.25708 10.26225 10.27544 10.27610 10.27973 10.28584 10.28956 10.29630 10.30442 10.30755 10.31381 10.31711 10.32406 10.33587 10.34199 10.34564 10.36406 10.36888 10.37006 10.37824 10.40363 10.40802 10.41365 10.42300 10.42852 10.43485 10.43929 10.45474 10.45833 10.46065 10.46618 10.50999 10.51386 10.52246 10.55311 10.56175 10.59890 10.60508 10.62137 10.62341 10.62993 10.66407 10.67315 10.69619 10.73562 10.73747 10.74554 10.77493 10.78696 10.78954 10.79346 10.80214 10.80658 10.80991 10.81121 10.92416 10.92575 10.92689 10.92933 10.97697 10.98011 10.98034 10.98121 11.05245 11.06321 11.06969 11.07191 11.12572 11.13795 11.14401 11.14597 11.22112 11.22536 11.23216 11.24049 11.25069 11.25479 11.26500 11.27489 11.29919 11.30410 11.31485 11.31746 11.32386 11.32776 11.33288 11.33918 11.40123 11.41729 11.42259 11.43488 11.57705 11.59516 11.59873 11.61658 11.79182 11.80762 11.81033 11.81143 11.86392 11.87201 11.87757 11.87977 11.93049 11.93655 11.93872 11.95382 12.01921 12.04155 12.04584 12.04685 12.05151 12.06401 12.07708 12.07787 12.10074 12.13195 12.13435 12.14012 12.14320 12.15028 12.15415 12.15431 12.16237 12.23630 12.25997 12.26508 12.26626 12.29094 12.29506 12.32396 12.34828 12.35317 12.35809 12.41312 12.42895 12.44818 12.44872 12.47227 12.48477 12.52203 12.56934 12.57173 12.59196 12.64267 12.64843 12.65283 12.68089 12.70899 12.71560 12.82666 12.83690 12.84657 12.85204 12.86350 12.97059 12.97525 12.97847 12.98271 12.99734 13.02105 13.02586 13.02889 13.08238 13.10281 13.10486 13.13772 13.14391 13.15223 13.15420 13.17010 13.17330 13.18287 13.19056 13.20331 13.34868 13.36125 13.36357 13.36725 13.78669 13.81595 13.82699 13.86890 14.11419 14.12515 14.13004 14.13385 14.27285 14.31165 14.31646 14.31869 14.41794 14.43622 14.44848 14.46231 28.32785 28.34406 28.35185 28.36068 28.84903 28.86539 28.86668 28.87231 28.93331 28.94022 28.94055 28.94609 28.95583 28.96162 28.98397 28.98770 37.75782 37.89326 37.89374 37.94107 47.92738 47.93628 47.95845 47.96378 48.10445 48.11377 48.12377 48.14290 147.05407 147.07224 147.08104 147.08884 147.62975 147.63765 147.64328 147.64634 147.70202 147.70696 147.71117 147.72774 147.76367 147.76397 147.76932 147.79947 196.73654 196.88477 196.88557 196.94398 252.53999 252.55099 252.57610 252.58234 252.74070 252.74953 252.76060 252.78337 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 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 O O N C H H C H H C H H C O O N C H H C H H C H H C O O N C H H C H H C H H C O O N C H H C H H C H H C -0.765224 -0.829097 -0.065174 0.108893 0.026903 -0.044411 0.167277 -0.046399 0.012286 0.091537 -0.004537 -0.004528 0.367981 -0.752871 -0.839784 -0.128215 0.121887 0.032720 -0.046939 0.169251 -0.043827 0.014003 0.092978 -0.004193 0.004073 0.365195 -0.732105 -0.841105 -0.109497 0.120260 0.032166 -0.048178 0.172127 -0.047708 0.010039 0.096198 -0.006343 -0.007084 0.353325 -0.743841 -0.841971 -0.069342 0.117990 0.024932 -0.046333 0.173453 -0.049016 0.006859 0.099976 -0.006916 -0.008143 0.350476 -4.00000 9.4551 7.9858 -128.6517 129.2456 -288.1452 -281.1603 -1037.4375 -1.7752 67.0063 82.0775 247.4358 254.4207 -501.8565 -1.7752 67.0063 82.0775 450.5778 620.4349 -8294.8101 138.7710 210.5590 -1589.8510 571.9757 900.9785 -1565.2487 -28.5074 -6243.9875 -6583.5307 -65593.1359 -53.9830 2455.0745 -497.9613 3729.9630 4804.5165 8833.7570 -2648.1521 -10405.3999 -10470.3926 1400.0569 850.7720 -418.1334 GINC-C13-8 MARCOF 2023-12-07T00:00:00.000+01:00 0 SINGLE POINT - PBEPBE-GD3MBJ-SMDwater_def2-QZVP-QZVPD-SDD -4 1 Version=ES64L-G16RevC.01 HF=-1444.5533879 RMSD=8.816e-06 Dipole=-0.4424474,-3.954654,-14.8898586 Quadrupole=183.9624541,189.1555472,-373.1180013,-1.3197831,49.817526,61.0226201 PG=C01 [X(C16H24N4O8)] 0 0.9695 0.6918 5.8073 0 1.9329 2.707 5.6019 0 -0.2392 0.818 3.374 0 0.7003 0.2541 2.3668 0 0.153 -0.4733 1.7567 0 1.0407 1.0551 1.6897 0 -1.5463 1.0879 2.717 0 -1.3878 1.545 1.7262 0 -2.0933 1.8209 3.3219 0 0.3188 2.0617 3.9537 0 0.9 2.6215 3.205 0 -0.5108 2.7064 4.2765 0 1.1584 1.8242 5.1971 0 0.7656 -2.1035 6.4718 0 2.7855 -2.9247 7.0035 0 1.4588 -1.4778 3.9485 0 1.1192 -2.6897 3.1481 0 0.5281 -2.3679 2.2826 0 2.046 -3.1429 2.7587 0 1.892 -0.3952 3.0242 0 2.5693 -0.8 2.2538 0 2.4656 0.3399 3.6019 0 2.5422 -1.7895 4.9071 0 3.2721 -2.4865 4.4668 0 3.0765 -0.8607 5.1528 0 2.0194 -2.3335 6.2231 0 -1.762 0.9084 5.7823 0 -3.7509 1.9253 5.9814 0 -2.6071 -0.8251 3.8857 0 -2.3404 -0.1866 2.5681 0 -1.7953 -0.9094 1.9487 0 -3.2957 0.0276 2.0604 0 -3.0808 -2.2175 3.6691 0 -3.8029 -2.2488 2.836 0 -3.6166 -2.5441 4.5682 0 -3.6266 -0.0501 4.6317 0 -4.3682 0.391 3.9479 0 -4.1644 -0.7292 5.308 0 -3.0297 1.026 5.5192 0 -2.0316 -1.7505 6.4938 0 -2.92 -3.566 7.4667 0 -0.9139 -3.127 4.4691 0 -1.9208 -3.1339 3.3726 0 -1.4191 -2.8252 2.448 0 -2.2891 -4.1614 3.2162 0 0.3533 -3.7116 3.954 0 0.1389 -4.5903 3.323 0 0.9441 -4.0686 4.8055 0 -1.4166 -3.8948 5.6287 0 -2.0269 -4.7519 5.3046 0 -0.5604 -4.2906 6.192 0 -2.2 -3.0361 6.605