Gaussian 16 GINC-BELVIS27 LAMSABHI Optimization 6Agua-BF3 CONF19 gas EM64L-G16RevC.01 12-Oct-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 22 22 46 46 292 (5D, 7F) 6-311+G(d,p) 60 60 C1[X(BF3H12O6)] C1[X(BF3H12O6)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 163.80260959999998 0 1 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.6909,.1908,-.2163;2.9377,.7281,-.2857;1.1357,-.0119,-1.4735;1.6862,-1.0114,.5203;.7729,1.1604,.5419;.1381,1.7043,-.0528;.256,.7694,1.3152;-1.6727,1.7997,-.9802;-2.8303,-2.0607,.9915;-2.7769,-.0359,-.3361;-.636,.08,2.4146;-1.2566,-.4979,1.9263;-.2676,-2.6132,-.588;-.198,-2.2773,-1.4866;-.0657,-.5025,2.9221;.5266,-2.2574,-.1569;-2.1862,-1.409,.706;-1.4916,-1.9048,.1853;-.8647,2.3673,-.9624;-.4995,2.3388,-1.8507;-2.996,.7495,-.8714;-3.7407,1.1677,-.4361; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-4237516/Gau-11606.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-4237516/" chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/gas/CONF19/ #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 6Agua-BF3 CONF19 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 11 19 19 19 16 1 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 3 1 1 1 0 1 1 1 1 1 0 1 0 1 1 1 0 1 0 1 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 1 1 1 1 4 5 5 6 7 8 8 9 10 10 11 11 12 13 13 13 17 19 21 2 3 4 5 16 6 7 19 11 19 21 17 17 21 12 15 17 14 16 18 18 20 22 1.3595 1.3891 1.4099 1.5355 1.8319 1.0258 1.009 1.5075 1.5747 0.9876 1.6929 0.9597 1.8221 0.9754 0.9785 0.9603 1.7842 0.9618 0.9712 1.6118 0.9997 0.9609 0.9587 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 2 2 2 3 3 4 1 1 1 6 7 7 12 14 14 16 4 9 9 9 10 10 12 6 6 8 8 8 10 1 1 1 1 1 1 4 5 5 5 11 11 11 13 13 13 16 17 17 17 17 17 17 19 19 19 21 21 21 3 4 5 4 5 5 16 6 7 7 12 15 15 16 18 18 13 10 12 18 12 18 18 8 20 20 10 22 22 112.2104 111.5146 108.9018 110.3113 107.4608 106.1658 112.8839 114.7411 116.1082 109.4374 105.6283 107.35 106.3892 103.1485 110.4713 104.3011 158.5848 117.6642 119.5341 106.523 100.0948 107.5257 104.3281 107.6005 106.9771 106.0941 111.0547 111.4559 106.0494 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 5 5 19 17 11 13 5 5 19 17 11 13 6 7 8 10 12 18 6 7 8 10 12 18 19 11 21 21 17 17 19 11 21 21 17 17 3 4 3 1 1 5 3 4 3 1 1 5 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 176.5339 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 178.3702 177.3818 173.9196 167.5435 174.9975 174.9456 185.7269 174.497 182.5685 184.6942 182.168 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 2 3 5 2 2 3 3 4 4 1 1 1 6 6 1 1 7 7 7 7 7 15 15 15 14 14 14 16 16 16 9 9 12 12 18 18 6 6 20 20 14 18 1 1 1 1 1 1 1 1 1 4 5 5 5 5 5 5 5 5 11 11 11 11 11 11 13 13 13 13 13 13 17 17 17 17 17 17 19 19 19 19 13 13 4 4 4 5 5 5 5 5 5 16 11 11 11 11 19 19 19 19 17 17 17 17 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 21 16 16 16 16 16 6 7 6 7 6 7 13 12 15 12 15 8 20 8 20 9 10 18 9 10 18 9 10 12 9 10 12 8 22 8 22 8 22 10 22 10 22 4 4 -143.3803 -17.9883 98.142 102.9618 -127.7013 -18.8115 110.5255 -136.849 -7.512 -34.0235 -67.5292 45.0434 61.7143 174.2869 90.8002 -21.7794 -39.223 -151.8026 173.8482 -55.2 54.4924 62.5663 -166.4819 -56.7896 120.4273 -8.3047 -112.7474 -130.2078 101.0603 -3.3825 171.507 51.6185 40.4186 -79.4699 -67.3445 172.767 -4.4253 112.4802 109.2051 -133.8894 65.0901 -50.3894 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 302 A 292 A 456 302 683.9840063695 22 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 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. One-electron integral symmetry used in STVInt NBasis= 292 RedAO= T EigKep= 2.04D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 Berny optimization. local minimum Step number 32 out of a maximum of 116 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00024 0.00104 0.00133 0.00202 0.00228 0.00333 0.00525 0.00572 0.01112 0.01137 0.01532 0.01670 0.01983 0.02098 0.02228 0.02630 0.03015 0.03531 0.03553 0.04296 0.04700 0.04857 0.05184 0.05604 0.05700 0.06798 0.07181 0.07476 0.07996 0.08582 0.08672 0.08895 0.09639 0.09824 0.09947 0.10581 0.10657 0.10943 0.11370 0.12659 0.13169 0.15951 0.18694 0.21246 0.24702 0.39241 0.40621 0.43784 0.45029 0.47076 0.48211 0.49667 0.51509 0.52102 0.53800 0.55226 0.55396 0.55527 0.55716 0.58284 -6.74271819e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 2.57519 2.66495 2.66687 2.91410 3.62646 1.92143 1.89518 2.94444 3.06155 1.86170 3.27591 1.81905 3.45156 1.84860 1.85153 1.81918 3.41251 1.82885 1.83641 3.09808 1.89178 1.82041 1.81714 1.95850 1.97447 1.90244 1.92046 1.86141 1.83908 1.92314 1.97490 1.98956 1.89671 1.92162 1.95508 1.86223 1.77292 1.92263 1.87062 2.55835 2.06773 2.16331 1.86441 1.64514 1.89912 1.79587 1.87797 1.91379 1.85555 2.03365 2.07113 1.86249 3.07885 3.15921 3.05677 2.98781 2.90111 3.00297 3.04520 3.22045 3.02443 3.15446 3.27479 3.17581 -2.45669 -0.25068 1.74978 1.71845 -2.38561 -0.39960 1.77952 -2.44060 -0.26148 -0.35452 -1.09199 0.97631 1.09853 -3.11635 1.68335 -0.30572 -0.50061 -2.48968 2.96190 -1.06850 0.83883 0.87841 3.13120 -1.24466 2.32825 0.03420 -1.66137 -2.06741 1.92173 0.22616 -3.11474 0.82857 0.84808 -1.49180 -0.97141 2.97190 -0.23342 1.99758 1.79351 -2.25867 0.73248 -1.28454 0.00002 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00005 0.00011 -0.00002 -0.00021 0.00108 -0.00002 0.00000 0.00011 -0.00010 0.00004 -0.00042 -0.00001 0.00048 -0.00003 -0.00002 -0.00001 0.00010 0.00002 -0.00003 0.00017 -0.00004 -0.00000 -0.00000 -0.00011 0.00005 0.00005 -0.00001 0.00002 0.00000 0.00007 0.00011 0.00014 0.00004 -0.00006 -0.00012 0.00002 -0.00008 -0.00039 -0.00009 -0.00082 0.00002 -0.00005 0.00002 -0.00006 -0.00004 0.00013 -0.00028 -0.00011 0.00000 -0.00006 0.00019 -0.00011 -0.00015 -0.00011 0.00005 0.00037 0.00000 -0.00006 -0.00012 -0.00002 0.00024 0.00056 0.00023 0.00001 0.00035 0.00024 0.00026 -0.00075 -0.00049 -0.00066 -0.00040 -0.00066 -0.00041 0.00059 0.00039 0.00028 0.00065 0.00054 -0.00003 0.00021 -0.00024 -0.00000 0.00034 0.00019 0.00013 0.00048 0.00033 0.00026 0.00068 0.00067 0.00071 0.00037 0.00036 0.00041 -0.00024 -0.00015 0.00001 0.00011 -0.00010 -0.00001 -0.00039 -0.00039 -0.00064 -0.00064 -0.00099 -0.00048 0.00003 0.00001 -0.00001 0.00004 0.00018 0.00002 0.00002 -0.00012 -0.00010 -0.00002 0.00020 0.00001 0.00007 0.00000 0.00002 0.00000 -0.00018 0.00001 -0.00000 -0.00000 0.00003 0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00002 -0.00002 0.00003 0.00000 -0.00005 -0.00005 0.00004 0.00007 -0.00004 0.00000 0.00001 -0.00014 -0.00010 -0.00010 0.00005 -0.00003 -0.00010 0.00006 -0.00001 0.00004 0.00008 0.00008 0.00004 0.00017 0.00013 -0.00001 -0.00010 -0.00009 -0.00032 -0.00014 -0.00008 0.00013 0.00011 -0.00007 -0.00018 -0.00006 0.00020 -0.00007 0.00012 0.00013 0.00011 0.00019 0.00015 0.00018 0.00014 0.00019 0.00016 -0.00056 -0.00001 -0.00000 -0.00007 -0.00005 0.00039 0.00027 0.00046 0.00033 -0.00010 -0.00001 -0.00002 -0.00009 -0.00000 -0.00001 0.00019 0.00026 0.00016 0.00012 0.00019 0.00009 0.00037 0.00004 0.00030 -0.00003 0.00025 -0.00008 -0.00043 -0.00019 -0.00038 -0.00013 0.00019 0.00038 -0.00002 0.00012 -0.00003 -0.00017 0.00127 0.00000 0.00002 -0.00001 -0.00019 0.00001 -0.00022 -0.00000 0.00055 -0.00003 0.00000 -0.00000 -0.00008 0.00003 -0.00003 0.00017 -0.00001 -0.00000 0.00001 -0.00008 0.00004 0.00004 -0.00002 -0.00000 0.00003 0.00007 0.00006 0.00009 0.00008 0.00001 -0.00017 0.00002 -0.00007 -0.00053 -0.00020 -0.00092 0.00007 -0.00008 -0.00008 0.00000 -0.00006 0.00017 -0.00020 -0.00003 0.00004 0.00011 0.00031 -0.00012 -0.00025 -0.00020 -0.00027 0.00023 -0.00008 0.00007 -0.00001 -0.00010 0.00006 0.00050 0.00043 -0.00006 0.00046 0.00037 0.00037 -0.00056 -0.00034 -0.00048 -0.00026 -0.00047 -0.00025 0.00003 0.00038 0.00027 0.00059 0.00049 0.00037 0.00048 0.00022 0.00033 0.00025 0.00018 0.00011 0.00039 0.00032 0.00025 0.00087 0.00093 0.00087 0.00050 0.00055 0.00049 0.00013 -0.00010 0.00031 0.00008 0.00015 -0.00008 -0.00082 -0.00057 -0.00102 -0.00077 -0.00080 -0.00010 2.57517 2.66508 2.66684 2.91393 3.62773 1.92143 1.89521 2.94443 3.06135 1.86171 3.27569 1.81905 3.45211 1.84857 1.85153 1.81918 3.41243 1.82887 1.83638 3.09825 1.89177 1.82041 1.81715 1.95842 1.97451 1.90248 1.92044 1.86141 1.83912 1.92321 1.97496 1.98965 1.89678 1.92163 1.95491 1.86225 1.77285 1.92210 1.87043 2.55743 2.06780 2.16323 1.86433 1.64514 1.89907 1.79604 1.87776 1.91376 1.85559 2.03376 2.07144 1.86237 3.07861 3.15902 3.05650 2.98804 2.90103 3.00304 3.04519 3.22036 3.02449 3.15496 3.27522 3.17575 -2.45622 -0.25032 1.75015 1.71790 -2.38594 -0.40009 1.77926 -2.44107 -0.26173 -0.35449 -1.09161 0.97659 1.09912 -3.11587 1.68372 -0.30524 -0.50039 -2.48935 2.96215 -1.06832 0.83893 0.87880 3.13153 -1.24441 2.32912 0.03513 -1.66050 -2.06691 1.92228 0.22665 -3.11461 0.82847 0.84839 -1.49172 -0.97126 2.97181 -0.23424 1.99701 1.79249 -2.25944 0.73168 -1.28465 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000006 0.001674 0.000378 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.246620e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 1 1 1 1 4 5 5 6 7 8 8 9 10 10 11 11 12 13 13 13 17 19 21 2 3 4 5 16 6 7 19 11 19 21 17 17 21 12 15 17 14 16 18 18 20 22 1.3627 1.4102 1.4112 1.5421 1.919 1.0168 1.0029 1.5581 1.6201 0.9852 1.7335 0.9626 1.8265 0.9782 0.9798 0.9627 1.8058 0.9678 0.9718 1.6394 1.0011 0.9633 0.9616 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 2 2 2 3 3 4 1 1 1 6 7 7 12 14 14 16 4 9 9 9 10 10 12 6 6 8 8 8 10 1 1 1 1 1 1 4 5 5 5 11 11 11 13 13 13 16 17 17 17 17 17 17 19 19 19 21 21 21 3 4 5 4 5 5 16 6 7 7 12 15 15 16 18 18 13 10 12 18 12 18 18 8 20 20 10 22 22 112.2139 113.1289 109.0019 110.0345 106.6511 105.3718 110.1877 113.1536 113.9937 108.6734 110.1007 112.0178 106.6977 101.5811 110.1586 107.1788 146.5829 118.4725 123.9487 106.8229 94.2594 108.8117 102.896 107.5995 109.6521 106.3152 116.5195 118.6667 106.7131 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 5 5 19 17 11 13 5 5 19 17 11 6 7 8 10 12 18 6 7 8 10 12 19 11 21 21 17 17 19 11 21 21 17 3 4 3 1 1 5 3 4 3 1 1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 176.4054 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 181.0096 175.14 171.189 166.2211 172.0574 174.4774 184.5184 173.2869 180.7374 187.6318 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 2 3 5 2 2 3 3 4 4 1 1 1 6 6 1 1 7 7 7 7 7 15 15 15 14 14 14 16 16 16 9 9 12 12 18 18 6 6 20 20 14 1 1 1 1 1 1 1 1 1 4 5 5 5 5 5 5 5 5 11 11 11 11 11 11 13 13 13 13 13 13 17 17 17 17 17 17 19 19 19 19 13 4 4 4 5 5 5 5 5 5 16 11 11 11 11 19 19 19 19 17 17 17 17 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 21 16 16 16 16 6 7 6 7 6 7 13 12 15 12 15 8 20 8 20 9 10 18 9 10 18 9 10 12 9 10 12 8 22 8 22 8 22 10 22 10 22 4 -140.7577 -14.3631 100.2547 98.4601 -136.6851 -22.8956 101.9592 -139.8363 -14.9815 -20.3125 -62.5664 55.9386 62.9411 -178.554 96.4489 -17.5165 -28.6826 -142.648 169.7044 -61.2204 48.0612 50.3295 179.4047 -71.3137 133.3988 1.9594 -95.1895 -118.4538 110.1068 12.9579 -178.4613 47.4736 48.5914 -85.4737 -55.6578 170.2771 -13.3741 114.4531 102.7608 -129.412 41.9678 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3(BJ) -0.0219679002 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.6909,.1908,-.2163;2.9377,.7281,-.2857;1.1357,-.0119,-1.4735;1.6862,-1.0114,.5204;.7728,1.1604,.5419;.1381,1.7043,-.0528;.256,.7694,1.3152;-1.6727,1.7997,-.9802;-2.8303,-2.0607,.9915;-2.7769,-.0359,-.3361;-.636,.08,2.4146;-1.2566,-.4979,1.9263;-.2676,-2.6132,-.588;-.198,-2.2773,-1.4866;-.0657,-.5025,2.9221;.5266,-2.2573,-.1569;-2.1862,-1.409,.706;-1.4916,-1.9048,.1853;-.8647,2.3673,-.9624;-.4995,2.3388,-1.8507;-2.996,.7495,-.8714;-3.7408,1.1677,-.4361; 0.000000 1.359473 0.000000 1.389148 2.281588 0.000000 1.409940 2.289542 2.297263 0.000000 1.535494 2.357619 2.359560 2.356098 0.000000 2.174527 2.974038 2.441095 3.178050 1.025840 0.000000 2.177023 3.123531 3.026766 2.418395 1.009000 1.661121 0.000000 3.806002 4.783967 3.378215 4.629887 2.950592 2.036711 3.170182 0.000000 5.193162 6.532892 5.099327 4.660624 4.853872 4.906874 4.199921 4.486718 0.000000 4.475164 5.765724 4.074692 4.648058 3.847455 3.406799 3.545976 2.236919 2.421826 0.000000 3.514028 4.525834 4.273717 3.189325 2.580545 3.053795 1.574663 3.944203 3.379725 3.487605 0.000000 3.708446 4.897776 4.185419 3.301545 2.963960 3.272858 2.065751 3.728221 2.406781 2.764630 0.978545 0.000000 3.440370 4.640049 3.085496 2.758907 4.074184 4.369433 3.916439 4.647766 3.060601 3.605882 4.050246 3.431336 0.000000 3.357463 4.506337 2.628864 3.029879 4.107851 4.245203 4.163942 4.364980 3.621714 3.605311 4.579035 3.991773 0.961817 0.000000 3.662827 4.563492 4.583206 3.016080 3.022271 3.709692 2.074494 4.807361 3.714554 4.264328 0.960269 1.552398 4.100828 4.754353 0.000000 2.711534 3.839683 2.673292 1.831868 3.497108 3.982025 3.376657 4.687680 3.553332 3.984992 3.664354 3.258088 0.971207 1.514370 3.593178 0.000000 4.294374 5.639614 4.211558 3.897162 3.922303 3.958638 3.328778 3.660964 0.959748 1.822148 2.745803 1.784177 2.608733 3.084527 3.198333 2.970462 0.000000 3.831576 5.174269 3.638355 3.317929 3.827569 3.967192 3.388554 3.887791 1.570470 2.327415 3.105037 2.250695 1.611780 2.146458 3.389657 2.077120 0.999746 0.000000 3.438686 4.195573 3.150104 4.485616 2.529997 1.507489 2.999417 0.987584 5.223847 3.134390 4.085109 4.087449 5.030078 4.721346 4.895272 4.896076 4.334757 4.467801 0.000000 3.476036 4.105835 2.888202 4.650021 2.955000 2.010411 3.613424 1.557170 5.732915 3.622144 4.828437 4.783888 5.115659 4.640175 5.571480 5.004596 4.840181 4.810175 0.960895 0.000000 4.765273 5.962564 4.244170 5.192321 4.046015 3.377051 3.918793 1.692912 3.375684 0.975396 4.100692 3.522568 4.339545 4.167535 4.954290 4.686143 2.793370 3.228816 2.677318 3.117246 0.000000 5.523152 6.694606 5.123239 5.925764 4.618331 3.934535 4.381711 2.229899 3.645491 1.545187 4.353034 3.811280 5.136212 5.051985 5.250996 5.478962 3.218718 3.858146 3.160365 3.725373 0.958719 0.000000 BF3H12O6 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 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7416,.0767,-.0822;3.0332,.4729,.0698;1.2517,.3586,-1.3512;1.5833,-1.2935,.2102;.8671,.8333,.9279;.3223,1.6061,.53;.2694,.266,1.5102;-1.4102,2.191,-.3669;-3.0293,-1.9593,.1664;-2.7119,.3723,-.4067;-.7484,-.6493,2.2886;-1.3856,-.9657,1.6167;-.4307,-2.2267,-1.4283;-.2744,-1.6229,-2.1605;-.2656,-1.4228,2.5896;.363,-2.118,-.8792;-2.313,-1.3213,.1346;-1.6335,-1.6881,-.5004;-.5578,2.6329,-.136;-.1408,2.8603,-.9714;-2.8258,1.3085,-.6554;-3.5567,1.6358,-.1282; 0.9541291 0.6701631 0.5620271 -24.65088 -24.64067 -24.62427 -19.17095 -19.16685 -19.16211 -19.15811 -19.15798 -19.15170 -6.85888 -1.20288 -1.16090 -1.14927 -1.07440 -1.06689 -1.05522 -1.04929 -1.04131 -1.03429 -0.59340 -0.59005 -0.58819 -0.57574 -0.57219 -0.56680 -0.56393 -0.52913 -0.50004 -0.49748 -0.47213 -0.45578 -0.44032 -0.43264 -0.42506 -0.40818 -0.40518 -0.40152 -0.38756 -0.38038 -0.36995 -0.36549 -0.36222 -0.35477 -0.35432 -0.35195 -0.34465 -0.02896 0.00877 0.01615 0.01864 0.03859 0.05572 0.07609 0.08190 0.09555 0.10283 0.10911 0.11823 0.12055 0.12583 0.13614 0.14636 0.15479 0.15649 0.17045 0.17495 0.18415 0.18776 0.19846 0.20884 0.21283 0.21699 0.22833 0.23500 0.23726 0.24581 0.24997 0.25827 0.26435 0.27248 0.27638 0.28670 0.29703 0.29778 0.30868 0.31368 0.32591 0.33270 0.33850 0.34272 0.36143 0.36605 0.36772 0.38137 0.39108 0.39421 0.41240 0.42621 0.44564 0.47804 0.48205 0.49383 0.49818 0.51765 0.52067 0.53514 0.54582 0.55352 0.55668 0.57236 0.59134 0.59535 0.61089 0.62480 0.63667 0.65528 0.68142 0.77121 0.89584 0.91496 0.92811 0.94383 0.95173 0.96235 0.98681 0.99644 1.01152 1.01606 1.02618 1.04220 1.04880 1.05429 1.06439 1.07614 1.08667 1.11185 1.12691 1.15747 1.22116 1.23601 1.24956 1.25217 1.27102 1.28779 1.29510 1.30059 1.30606 1.31659 1.33604 1.34272 1.36277 1.38272 1.38872 1.39579 1.40686 1.42327 1.43384 1.44152 1.45786 1.46929 1.47887 1.49610 1.50394 1.51235 1.54222 1.56175 1.57845 1.58921 1.61494 1.62287 1.63897 1.64563 1.68275 1.69773 1.70919 1.74873 1.78194 1.81163 1.84815 1.96804 1.97921 1.99401 2.00036 2.00256 2.00647 2.03314 2.05379 2.14592 2.23019 2.23465 2.27263 2.27736 2.29179 2.32052 2.35300 2.36356 2.38108 2.42066 2.51836 2.55777 2.58164 2.60116 2.61930 2.64990 2.67419 2.71444 2.74656 2.78121 2.81879 2.84146 3.03452 3.08041 3.08448 3.09673 3.10740 3.11256 3.12568 3.13821 3.16646 3.17196 3.23351 3.26771 3.27050 3.28566 3.30126 3.30417 3.31543 3.45268 3.60138 3.62356 3.66239 3.70573 3.73488 3.77953 3.78220 3.80066 3.81548 3.83114 3.83565 3.84792 3.86181 3.86945 3.87894 3.89204 3.90252 3.91124 3.92727 3.98992 3.99168 4.11116 4.27293 4.28842 4.38375 4.64724 4.66421 4.95212 4.96511 4.98255 5.00341 5.01347 5.08142 5.33839 5.36378 5.37574 5.38414 5.44859 5.53034 5.59547 5.62660 5.65220 5.65499 5.67637 5.77403 6.32573 6.33806 6.35849 6.39316 6.41726 6.44375 6.48728 6.58488 6.64119 14.57454 49.85377 49.86100 49.88530 49.90911 49.91453 49.94682 66.83746 66.84698 66.86030 1-A. -6.7688 -1.5712 0.3794 6.9592 -61.1576 -57.8524 -60.2331 2.0388 -1.7084 -6.1862 -1.4099 1.8953 -0.4854 2.0388 -1.7084 -6.1862 -88.8287 0.4347 -8.7200 -11.8058 -10.1328 9.0394 10.6669 -11.4315 2.0745 -1.5219 -1080.6525 -822.9089 -447.8266 -10.8874 -48.9754 27.3355 -85.8022 19.5058 -24.4601 -266.9809 -304.1495 -188.7299 14.0175 -19.5672 -0.1196 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7381,.1636,-.2176;2.9682,.7227,-.395;1.1003,-.1213,-1.4427;1.7658,-.9913,.5931;.8341,1.1654,.5287;.2193,1.6873,-.0905;.2814,.7522,1.2565;-1.6494,1.8266,-.9933;-2.8887,-2.1872,.9154;-2.8457,-.0254,-.2086;-.7056,.0744,2.3478;-1.3168,-.5513,1.9063;-.2157,-2.4919,-.6568;-.0339,-1.93,-1.4235;-.2207,-.4318,3.0077;.558,-2.3136,-.0965;-2.2524,-1.5015,.6886;-1.5335,-1.9408,.1477;-.8094,2.3363,-1.0644;-.5058,2.2322,-1.9727;-3.0182,.8054,-.6954;-3.808,1.1939,-.3081; 0.000000 1.362730 0.000000 1.410233 2.301934 0.000000 1.411248 2.315057 2.311709 0.000000 1.542076 2.367168 2.369185 2.350189 0.000000 2.155195 2.929090 2.424006 3.167609 1.016778 0.000000 2.154422 3.153858 2.952827 2.383959 1.002889 1.640913 0.000000 3.852662 4.785271 3.399622 4.703290 2.986938 2.080048 3.153433 0.000000 5.312034 6.669908 5.073533 4.816524 5.024838 5.067891 4.336649 4.614101 0.000000 4.587698 5.864712 4.135540 4.779276 3.937301 3.512991 3.539769 2.340185 2.437010 0.000000 3.544210 4.630332 4.203289 3.212902 2.621090 3.066323 1.620101 3.889002 3.454382 3.335474 0.000000 3.788777 5.027923 4.152477 3.379468 3.077522 3.370175 2.162353 3.764679 2.475700 2.662143 0.979789 0.000000 3.325897 4.531964 2.822930 2.782138 3.985364 4.239747 3.798930 4.562700 3.116034 3.633366 3.981638 3.398208 0.000000 2.996232 4.136068 2.134986 2.861277 3.761171 3.863447 3.804781 4.111860 3.699550 3.606899 4.323426 3.825518 0.967785 0.000000 3.820283 4.804212 4.652706 3.176480 3.131939 3.779291 2.172752 4.811412 3.818038 4.171370 0.962671 1.558439 4.203875 4.681406 0.000000 2.746553 3.888021 2.629134 1.919042 3.545462 4.015199 3.362445 4.776853 3.594409 4.102874 3.643301 3.260632 0.971787 1.502860 3.712615 0.000000 4.417894 5.777116 4.205664 4.051577 4.082184 4.109083 3.438300 3.777394 0.962599 1.826486 2.762061 1.805825 2.634191 3.092939 3.263447 3.028866 0.000000 3.907100 5.258673 3.574471 3.462013 3.924155 4.036327 3.431541 3.938080 1.576881 2.348923 3.096224 2.251689 1.639434 2.172076 3.489954 2.138508 1.001086 0.000000 3.453606 4.161900 3.135233 4.522305 2.570999 1.558133 3.014235 0.985168 5.357756 3.233613 4.095158 4.173812 4.881566 4.351055 4.958914 4.942445 4.459139 4.504083 0.000000 3.520608 4.103165 2.898204 4.704692 3.031591 2.089340 3.638372 1.559404 5.792352 3.699166 4.833554 4.842779 4.912539 4.224775 5.655330 5.031532 4.906526 4.792337 0.963318 0.000000 4.823201 5.994495 4.287138 5.270240 4.058158 3.409568 3.834131 1.733537 3.401113 0.978238 3.891540 3.391830 4.327588 4.113284 4.803107 4.782941 2.797146 3.233698 2.712710 3.159075 0.000000 5.641747 6.793071 5.206575 6.054298 4.717010 4.063214 4.400733 2.351410 3.711380 1.556482 4.234649 3.762369 5.158627 5.024641 5.148396 5.604411 3.267842 3.899643 3.296780 3.841050 0.961591 0.000000 BF3H12O6 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 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7791,.0354,-.0272;3.0641,.4773,.0749;1.2387,.2591,-1.3105;1.6293,-1.3215,.3306;.898,.8197,.966;.3925,1.5877,.5319;.2448,.2495,1.47;-1.3626,2.2381,-.3756;-3.1206,-2.0164,-.0618;-2.7838,.379,-.3578;-.8967,-.6418,2.196;-1.5148,-1.0059,1.5287;-.3462,-2.0708,-1.4793;-.0442,-1.3062,-1.9901;-.5226,-1.3941,2.666;.383,-2.1833,-.8469;-2.4086,-1.3717,.0028;-1.6822,-1.6797,-.6133;-.4786,2.6422,-.2145;-.0999,2.8195,-1.0823;-2.8367,1.3398,-.5341;-3.6232,1.6608,-.0836; 0.9795579 0.6586615 0.5542400 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= 302 302 302 302 302 MxSgAt= 22 MxSgA2= 22. 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. One-electron integral symmetry used in STVInt NBasis= 292 RedAO= T EigKep= 2.04D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 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= 302 302 302 302 302 MxSgAt= 22 MxSgA2= 22. 1 -2.66306656e+00 -6.18168728e-01 1.49269843e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 5 9 9 9 8 1 1 1 1 1 8 1 8 1 1 1 8 1 8 1 8 1 0.002361875 0.003576928 0.002360517 0.006115988 0.003454369 -0.000062414 -0.006000931 -0.002130471 -0.006441258 -0.003020982 -0.005672272 0.004382032 -0.001505309 0.001705713 0.001524538 0.002131505 -0.002249158 0.001746759 0.001849126 0.000506924 -0.002584162 -0.000464861 0.000086979 -0.000985204 -0.002338402 -0.002144680 0.000889992 -0.000069235 -0.002971423 0.001989303 -0.000425559 0.002300576 0.000180068 -0.001610656 -0.001787878 -0.000320565 -0.001636697 -0.000584876 0.000636286 0.000712487 0.000614545 -0.003565383 0.001276007 -0.001972529 0.002465580 0.003854418 0.001272702 0.001345565 -0.000277376 0.003564138 0.000289255 0.000404497 -0.001941582 -0.000733278 -0.000489414 0.001493994 0.000652421 0.000725443 0.000523140 -0.003080446 0.002119474 0.001173236 -0.001749930 -0.003711399 0.001181624 0.001060323 0.006441258 0.002415973 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -783.549689069654 -783.549690101616 -0.000001031962 -783.549690073243 0.000000028373 -783.549690130627 -0.000000057384 -783.549690130708 -0.000000000081 -783.549690130738 -0.000000000030 -783.549690131 6 7.811744586018e+02 -3.224285521037e+03 9.770970128976e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1887248410 LenY= 1887156765 Requested convergence on RMS density matrix=1.00D-08 within 128 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. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT21891.700S Wed Oct 12 22:23:54 2022 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 B F F F O H H H H H O H O H H H O H O H O H 0.969430 -0.273324 -0.422990 -0.470872 -0.890126 0.520287 0.502359 0.416300 0.309402 0.386401 -0.623828 0.378951 -0.563835 0.271231 0.272724 0.295470 -0.777152 0.453735 -0.640252 0.268537 -0.655132 0.272684 0.00000 -24.65090 -24.64580 -24.63115 -19.17555 -19.16889 -19.16162 -19.15408 -19.15096 -19.15001 -6.86646 -1.20309 -1.16157 -1.15416 -1.07729 -1.06265 -1.04975 -1.04457 -1.03664 -1.03224 -0.59723 -0.59083 -0.58648 -0.57192 -0.56784 -0.56380 -0.55398 -0.53000 -0.50273 -0.49762 -0.46853 -0.45463 -0.44151 -0.43262 -0.42265 -0.41104 -0.40310 -0.39859 -0.38971 -0.38313 -0.36940 -0.36750 -0.36633 -0.35521 -0.35042 -0.34617 -0.34480 -0.02756 0.00907 0.01598 0.02310 0.04014 0.05403 0.07541 0.08285 0.09907 0.10153 0.10862 0.11593 0.12274 0.12625 0.13948 0.14740 0.15622 0.16080 0.17070 0.17525 0.18533 0.18792 0.19529 0.20561 0.21220 0.21997 0.22597 0.23248 0.23593 0.24684 0.25139 0.25690 0.26161 0.26667 0.27228 0.28263 0.29463 0.29841 0.30281 0.30728 0.32439 0.33000 0.33563 0.34227 0.35605 0.36780 0.37045 0.38070 0.38902 0.40725 0.41123 0.43138 0.44142 0.46632 0.48255 0.48623 0.49859 0.51421 0.52291 0.53713 0.55176 0.55937 0.56485 0.57241 0.58332 0.59170 0.61229 0.61477 0.62882 0.64510 0.66919 0.77931 0.89445 0.90940 0.92766 0.94582 0.95625 0.96594 0.99396 1.00041 1.00977 1.01802 1.02898 1.04198 1.04606 1.05464 1.06045 1.06787 1.08361 1.10250 1.11778 1.14867 1.23539 1.24331 1.25429 1.27300 1.28466 1.28802 1.29682 1.30139 1.30386 1.32673 1.33813 1.34856 1.37514 1.37741 1.38512 1.39148 1.41066 1.41950 1.42739 1.43491 1.44949 1.46190 1.46758 1.47744 1.49680 1.51168 1.53543 1.54454 1.56951 1.58802 1.60813 1.61944 1.63293 1.64429 1.67046 1.70471 1.72547 1.76987 1.78623 1.80823 1.83357 1.97840 1.98796 1.99868 2.00362 2.00673 2.02030 2.03493 2.06254 2.14179 2.20477 2.22144 2.24852 2.25981 2.29259 2.29578 2.32548 2.34624 2.36910 2.40863 2.47275 2.52572 2.56151 2.57954 2.61792 2.64074 2.68593 2.69844 2.73330 2.75507 2.81087 2.83184 3.03536 3.08613 3.08995 3.10036 3.11358 3.11924 3.12742 3.13442 3.15819 3.16167 3.21079 3.26443 3.27556 3.28447 3.29576 3.29941 3.32719 3.42740 3.62050 3.62836 3.67465 3.70360 3.73342 3.74866 3.77907 3.79824 3.81281 3.82182 3.82604 3.84285 3.85696 3.86546 3.88135 3.88373 3.89858 3.90350 3.91650 3.97707 3.99193 4.09298 4.25800 4.27039 4.36727 4.64095 4.65766 4.94740 4.96394 4.98156 4.99930 5.01826 5.08322 5.33681 5.36406 5.37878 5.39608 5.44651 5.49793 5.56565 5.61622 5.63565 5.64514 5.67073 5.73176 6.32232 6.33220 6.35778 6.39069 6.41387 6.44615 6.47731 6.58006 6.62718 14.55371 49.84877 49.86062 49.89035 49.90363 49.90688 49.94045 66.83416 66.84203 66.85783 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 B F F F O H H H H H O H O H H H O H O H O H 0.927004 -0.243949 -0.433027 -0.462778 -0.860753 0.514933 0.510717 0.411638 0.310841 0.382078 -0.629730 0.366478 -0.539074 0.274243 0.272523 0.280417 -0.755769 0.430122 -0.635880 0.267135 -0.663184 0.276015 -0.00000 -2.65365803e+00 -6.13448984e-01 2.79770138e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -6.7449 -1.5592 0.7111 6.9592 -59.8688 -57.4875 -60.1910 2.6457 -1.9684 -7.5128 -0.6864 1.6949 -1.0086 2.6457 -1.9684 -7.5128 -94.3847 -8.1942 3.3713 -15.0100 -10.2115 4.4673 9.0334 -6.3486 2.5176 -0.5470 -1090.4096 -792.0308 -423.6639 -10.9655 -34.7268 30.9867 -77.8342 8.0439 -50.8279 -263.0699 -308.0074 -188.6215 18.1038 -19.1906 2.5909 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -783.5496901 7.335E-9 1.063E-5 -1.0302894,-2.3991294,3.4294188,1.0060438,-1.2267443,-5.1584034 C01 [X(B1F3H12O6)] -2.544908 -0.704588 0.7235268 -0.000006034 -0.000006192 0.000010084 0.000014780 0.000007325 -0.000000492 -0.000008978 -0.000003533 -0.000009072 0.000007703 0.000002453 0.000007194 -0.000001990 0.000004200 -0.000005757 -0.000002614 0.000005805 -0.000002850 -0.000002900 -0.000008642 0.000019157 0.000004098 0.000010063 -0.000002663 0.000007972 -0.000014282 0.000006451 -0.000012906 0.000009047 -0.000011679 0.000005709 0.000009888 -0.000014020 -0.000012888 -0.000016935 0.000002595 0.000023553 -0.000034924 -0.000013751 -0.000013386 0.000012183 0.000003106 0.000004836 0.000000808 0.000000273 -0.000018901 0.000007111 0.000000529 -0.000001103 0.000027680 0.000015485 -0.000001543 -0.000000068 -0.000004936 0.000006472 -0.000015258 -0.000001765 -0.000001001 0.000004392 -0.000003182 0.000017411 0.000004490 -0.000002061 -0.000008290 -0.000005609 0.000007353 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7381,.1636,-.2176;2.9682,.7227,-.395;1.1003,-.1213,-1.4427;1.7658,-.9913,.5931;.8341,1.1654,.5287;.2193,1.6873,-.0905;.2814,.7522,1.2565;-1.6494,1.8266,-.9933;-2.8887,-2.1872,.9154;-2.8457,-.0254,-.2086;-.7056,.0744,2.3478;-1.3168,-.5513,1.9063;-.2157,-2.4919,-.6568;-.0339,-1.93,-1.4235;-.2207,-.4318,3.0077;.558,-2.3136,-.0965;-2.2524,-1.5015,.6886;-1.5335,-1.9408,.1477;-.8094,2.3363,-1.0644;-.5058,2.2322,-1.9727;-3.0182,.8054,-.6954;-3.808,1.1939,-.3081; Gaussian 16 GINC-BELVIS27 LAMSABHI Optimization 6Agua-BF3 CONF19 gas EM64L-G16RevC.01 60 C1[X(BF3H12O6)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7381,.1636,-.2176;2.9682,.7227,-.395;1.1003,-.1213,-1.4427;1.7658,-.9913,.5931;.8341,1.1654,.5287;.2193,1.6873,-.0905;.2814,.7522,1.2565;-1.6494,1.8266,-.9933;-2.8887,-2.1872,.9154;-2.8457,-.0254,-.2086;-.7056,.0744,2.3478;-1.3168,-.5513,1.9063;-.2157,-2.4919,-.6568;-.0339,-1.93,-1.4235;-.2207,-.4318,3.0077;.558,-2.3136,-.0965;-2.2524,-1.5015,.6886;-1.5335,-1.9408,.1477;-.8094,2.3363,-1.0644;-.5058,2.2322,-1.9727;-3.0182,.8054,-.6954;-3.808,1.1939,-.3081; Optimization 6Agua-BF3 CONF19 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 11 19 19 19 16 1 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 3 1 1 1 0 1 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/gas/CONF19/opt-b3lyp.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 1 1 1 1 4 5 5 6 7 8 8 9 10 10 11 11 12 13 13 13 17 19 21 2 3 4 5 16 6 7 19 11 19 21 17 17 21 12 15 17 14 16 18 18 20 22 1.3627 1.4102 1.4112 1.5421 1.919 1.0168 1.0029 1.5581 1.6201 0.9852 1.7335 0.9626 1.8265 0.9782 0.9798 0.9627 1.8058 0.9678 0.9718 1.6394 1.0011 0.9633 0.9616 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 2 2 2 3 3 4 1 1 1 6 7 7 12 14 14 16 4 9 9 9 10 10 12 6 6 8 8 8 10 1 1 1 1 1 1 4 5 5 5 11 11 11 13 13 13 16 17 17 17 17 17 17 19 19 19 21 21 21 3 4 5 4 5 5 16 6 7 7 12 15 15 16 18 18 13 10 12 18 12 18 18 8 20 20 10 22 22 112.2139 113.1289 109.0019 110.0345 106.6511 105.3718 110.1877 113.1536 113.9937 108.6734 110.1007 112.0178 106.6977 101.5811 110.1586 107.1788 146.5829 118.4725 123.9487 106.8229 94.2594 108.8117 102.896 107.5995 109.6521 106.3152 116.5195 118.6667 106.7131 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 5 5 19 17 11 13 5 5 19 17 11 13 6 7 8 10 12 18 6 7 8 10 12 18 19 11 21 21 17 17 19 11 21 21 17 17 3 4 3 1 1 5 3 4 3 1 1 5 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 176.4054 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 181.0096 175.14 171.189 166.2211 172.0574 174.4774 184.5184 173.2869 180.7374 187.6318 181.9607 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 2 3 5 2 2 3 3 4 4 1 1 1 6 6 1 1 7 7 7 7 7 15 15 15 14 14 14 16 16 16 9 9 12 12 18 18 6 6 20 20 14 18 1 1 1 1 1 1 1 1 1 4 5 5 5 5 5 5 5 5 11 11 11 11 11 11 13 13 13 13 13 13 17 17 17 17 17 17 19 19 19 19 13 13 4 4 4 5 5 5 5 5 5 16 11 11 11 11 19 19 19 19 17 17 17 17 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 21 16 16 16 16 16 6 7 6 7 6 7 13 12 15 12 15 8 20 8 20 9 10 18 9 10 18 9 10 12 9 10 12 8 22 8 22 8 22 10 22 10 22 4 4 -140.7577 -14.3631 100.2547 98.4601 -136.6851 -22.8956 101.9592 -139.8363 -14.9815 -20.3125 -62.5664 55.9386 62.9411 -178.554 96.4489 -17.5165 -28.6826 -142.648 169.7044 -61.2204 48.0612 50.3295 179.4047 -71.3137 133.3988 1.9594 -95.1895 -118.4538 110.1068 12.9579 -178.4613 47.4736 48.5914 -85.4737 -55.6578 170.2771 -13.3741 114.4531 102.7608 -129.412 41.9678 -73.5989 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00028 0.00032 0.00079 0.00092 0.00128 0.00133 0.00367 0.00402 0.00473 0.00696 0.00717 0.00763 0.00963 0.01069 0.01119 0.01296 0.01327 0.01439 0.01540 0.01562 0.01698 0.01847 0.02064 0.02286 0.02386 0.02452 0.02700 0.02899 0.02978 0.03089 0.03299 0.04512 0.04780 0.05505 0.06306 0.06592 0.07066 0.07176 0.07495 0.08646 0.09973 0.11356 0.15713 0.16995 0.23190 0.27458 0.29618 0.36815 0.37804 0.40489 0.41523 0.44640 0.45843 0.47509 0.49415 0.51976 0.53580 0.53793 0.53824 0.54164 Angle between quadratic step and forces= 68.22 degrees. 1 2 0.00096508 0.00000064 0.00000067 0.00000022 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 2.57519 2.66495 2.66687 2.91410 3.62646 1.92143 1.89518 2.94444 3.06155 1.86170 3.27591 1.81905 3.45156 1.84860 1.85153 1.81918 3.41251 1.82885 1.83641 3.09808 1.89178 1.82041 1.81714 1.95850 1.97447 1.90244 1.92046 1.86141 1.83908 1.92314 1.97490 1.98956 1.89671 1.92162 1.95508 1.86223 1.77292 1.92263 1.87062 2.55835 2.06773 2.16331 1.86441 1.64514 1.89912 1.79587 1.87797 1.91379 1.85555 2.03365 2.07113 1.86249 3.07885 3.15921 3.05677 2.98781 2.90111 3.00297 3.04520 3.22045 3.02443 3.15446 3.27479 3.17581 -2.45669 -0.25068 1.74978 1.71845 -2.38561 -0.39960 1.77952 -2.44060 -0.26148 -0.35452 -1.09199 0.97631 1.09853 -3.11635 1.68335 -0.30572 -0.50061 -2.48968 2.96190 -1.06850 0.83883 0.87841 3.13120 -1.24466 2.32825 0.03420 -1.66137 -2.06741 1.92173 0.22616 -3.11474 0.82857 0.84808 -1.49180 -0.97141 2.97190 -0.23342 1.99758 1.79351 -2.25867 0.73248 -1.28454 0.00002 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00007 0.00016 -0.00008 -0.00009 0.00245 -0.00002 0.00014 0.00003 -0.00082 -0.00007 0.00048 0.00002 0.00128 -0.00007 0.00007 0.00001 -0.00083 0.00005 -0.00006 0.00057 0.00000 -0.00000 0.00001 -0.00009 0.00006 -0.00000 -0.00002 -0.00001 0.00006 -0.00004 -0.00010 -0.00011 0.00019 -0.00009 -0.00056 0.00003 -0.00012 -0.00131 -0.00085 -0.00113 0.00076 -0.00108 -0.00024 0.00035 -0.00036 0.00060 -0.00025 0.00032 0.00003 0.00060 0.00083 -0.00013 -0.00031 -0.00051 -0.00046 -0.00020 0.00011 0.00016 0.00007 -0.00024 -0.00023 0.00060 0.00034 -0.00005 0.00137 0.00129 0.00130 -0.00095 -0.00087 -0.00084 -0.00076 -0.00084 -0.00076 -0.00046 0.00073 0.00026 0.00071 0.00024 -0.00049 -0.00050 -0.00036 -0.00038 0.00001 0.00063 0.00036 0.00067 0.00129 0.00101 0.00266 0.00218 0.00162 0.00164 0.00115 0.00060 -0.00113 -0.00255 -0.00036 -0.00178 -0.00102 -0.00243 -0.00006 0.00121 0.00006 0.00133 -0.00131 0.00052 0.00007 0.00016 -0.00008 -0.00009 0.00245 -0.00002 0.00014 0.00003 -0.00082 -0.00007 0.00048 0.00002 0.00128 -0.00007 0.00007 0.00001 -0.00083 0.00005 -0.00006 0.00057 0.00000 -0.00000 0.00001 -0.00009 0.00006 -0.00000 -0.00002 -0.00001 0.00006 -0.00004 -0.00010 -0.00011 0.00019 -0.00009 -0.00056 0.00003 -0.00012 -0.00131 -0.00085 -0.00113 0.00076 -0.00108 -0.00024 0.00035 -0.00036 0.00060 -0.00025 0.00032 0.00003 0.00060 0.00083 -0.00013 -0.00031 -0.00051 -0.00046 -0.00020 0.00011 0.00016 0.00007 -0.00024 -0.00023 0.00060 0.00034 -0.00005 0.00137 0.00129 0.00130 -0.00095 -0.00087 -0.00084 -0.00076 -0.00084 -0.00076 -0.00046 0.00074 0.00026 0.00071 0.00024 -0.00049 -0.00050 -0.00036 -0.00038 0.00001 0.00063 0.00036 0.00067 0.00129 0.00101 0.00266 0.00218 0.00162 0.00164 0.00115 0.00060 -0.00113 -0.00255 -0.00036 -0.00178 -0.00102 -0.00243 -0.00006 0.00121 0.00006 0.00133 -0.00131 0.00052 2.57525 2.66511 2.66679 2.91401 3.62891 1.92142 1.89532 2.94448 3.06073 1.86163 3.27639 1.81907 3.45284 1.84853 1.85160 1.81919 3.41169 1.82890 1.83635 3.09865 1.89178 1.82041 1.81716 1.95841 1.97454 1.90244 1.92044 1.86141 1.83915 1.92310 1.97480 1.98945 1.89689 1.92153 1.95452 1.86225 1.77281 1.92132 1.86977 2.55722 2.06850 2.16223 1.86417 1.64549 1.89876 1.79647 1.87771 1.91411 1.85558 2.03425 2.07196 1.86237 3.07855 3.15871 3.05631 2.98761 2.90122 3.00313 3.04527 3.22021 3.02419 3.15506 3.27513 3.17577 -2.45531 -0.24940 1.75108 1.71751 -2.38648 -0.40044 1.77876 -2.44144 -0.26224 -0.35498 -1.09125 0.97658 1.09924 -3.11611 1.68286 -0.30622 -0.50097 -2.49005 2.96191 -1.06787 0.83919 0.87908 3.13249 -1.24364 2.33091 0.03637 -1.65975 -2.06577 1.92288 0.22676 -3.11587 0.82602 0.84772 -1.49358 -0.97243 2.96946 -0.23348 1.99880 1.79357 -2.25734 0.73117 -1.28402 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000006 0.003274 0.000965 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -9.750708e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 302 A 292 A 292 456 302 46 46 682.4862398306 22 22 22 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0218804242 0.000000 1.362730 0.000000 1.410233 2.301934 0.000000 1.411248 2.315057 2.311709 0.000000 1.542076 2.367168 2.369185 2.350189 0.000000 2.155195 2.929090 2.424006 3.167609 1.016778 0.000000 2.154422 3.153858 2.952827 2.383959 1.002889 1.640913 0.000000 3.852662 4.785271 3.399622 4.703290 2.986938 2.080048 3.153433 0.000000 5.312034 6.669908 5.073533 4.816524 5.024838 5.067891 4.336649 4.614101 0.000000 4.587698 5.864712 4.135540 4.779276 3.937301 3.512991 3.539769 2.340185 2.437010 0.000000 3.544210 4.630332 4.203289 3.212902 2.621090 3.066323 1.620101 3.889002 3.454382 3.335474 0.000000 3.788777 5.027923 4.152477 3.379468 3.077522 3.370175 2.162353 3.764679 2.475700 2.662143 0.979789 0.000000 3.325897 4.531964 2.822930 2.782138 3.985364 4.239747 3.798930 4.562700 3.116034 3.633366 3.981638 3.398208 0.000000 2.996232 4.136068 2.134986 2.861277 3.761171 3.863447 3.804781 4.111860 3.699550 3.606899 4.323426 3.825518 0.967785 0.000000 3.820283 4.804212 4.652706 3.176480 3.131939 3.779291 2.172752 4.811412 3.818038 4.171370 0.962671 1.558439 4.203875 4.681406 0.000000 2.746553 3.888021 2.629134 1.919042 3.545462 4.015199 3.362445 4.776853 3.594409 4.102874 3.643301 3.260632 0.971787 1.502860 3.712615 0.000000 4.417894 5.777116 4.205664 4.051577 4.082184 4.109083 3.438300 3.777394 0.962599 1.826486 2.762061 1.805825 2.634191 3.092939 3.263447 3.028866 0.000000 3.907100 5.258673 3.574471 3.462013 3.924155 4.036327 3.431541 3.938080 1.576881 2.348923 3.096224 2.251689 1.639434 2.172076 3.489954 2.138508 1.001086 0.000000 3.453606 4.161900 3.135233 4.522305 2.570999 1.558133 3.014235 0.985168 5.357756 3.233613 4.095158 4.173812 4.881566 4.351055 4.958914 4.942445 4.459139 4.504083 0.000000 3.520608 4.103165 2.898204 4.704692 3.031591 2.089340 3.638372 1.559404 5.792352 3.699166 4.833554 4.842779 4.912539 4.224775 5.655330 5.031532 4.906526 4.792337 0.963318 0.000000 4.823201 5.994495 4.287138 5.270240 4.058158 3.409568 3.834131 1.733537 3.401113 0.978238 3.891540 3.391830 4.327588 4.113284 4.803107 4.782941 2.797146 3.233698 2.712710 3.159075 0.000000 5.641747 6.793071 5.206575 6.054298 4.717010 4.063214 4.400733 2.351410 3.711380 1.556482 4.234649 3.762369 5.158627 5.024641 5.148396 5.604411 3.267842 3.899643 3.296780 3.841050 0.961591 0.000000 BF3H12O6 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 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7791,.0354,-.0272;3.0641,.4773,.0749;1.2387,.2591,-1.3105;1.6293,-1.3215,.3306;.898,.8197,.966;.3925,1.5877,.5319;.2448,.2495,1.47;-1.3626,2.2381,-.3756;-3.1206,-2.0164,-.0618;-2.7838,.379,-.3578;-.8967,-.6418,2.196;-1.5148,-1.0059,1.5287;-.3462,-2.0708,-1.4793;-.0442,-1.3062,-1.9901;-.5226,-1.3941,2.666;.383,-2.1833,-.8469;-2.4086,-1.3717,.0028;-1.6822,-1.6797,-.6133;-.4786,2.6422,-.2145;-.0999,2.8195,-1.0823;-2.8367,1.3398,-.5341;-3.6232,1.6608,-.0836; 0.9795579 0.6586615 0.5542400 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. One-electron integral symmetry used in STVInt NBasis= 292 RedAO= T EigKep= 2.04D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 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= 302 302 302 302 302 MxSgAt= 22 MxSgA2= 22. 1 Closed 1 1 1 -783.549690130748 -783.549690131 1 7.811744537530e+02 -3.224285504828e+03 9.770970015382e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1887248410 LenY= 1887156765 Requested convergence on RMS density matrix=1.00D-08 within 128 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. Using compressed storage, NAtomX= 22. Will process 23 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 6851 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=928920978. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 42778 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 1887436800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 69 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 66 vectors produced by pass 0 Test12= 1.64D-14 1.45D-09 XBig12= 3.12D+01 1.05D+00. AX will form 66 AO Fock derivatives at one time. 66 vectors produced by pass 1 Test12= 1.64D-14 1.45D-09 XBig12= 2.22D+00 2.05D-01. 66 vectors produced by pass 2 Test12= 1.64D-14 1.45D-09 XBig12= 4.78D-02 1.86D-02. 66 vectors produced by pass 3 Test12= 1.64D-14 1.45D-09 XBig12= 1.17D-04 1.01D-03. 66 vectors produced by pass 4 Test12= 1.64D-14 1.45D-09 XBig12= 2.07D-07 4.64D-05. 46 vectors produced by pass 5 Test12= 1.64D-14 1.45D-09 XBig12= 2.04D-10 1.10D-06. 6 vectors produced by pass 6 Test12= 1.64D-14 1.45D-09 XBig12= 1.54D-13 3.85D-08. 1 vectors produced by pass 7 Test12= 1.64D-14 1.45D-09 XBig12= 1.31D-16 1.56D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 383 with 69 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 65.76 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 70.532 1.492 65.812 -0.145 -1.975 60.941 80.618 1.995 77.456 0.098 -3.510 74.236 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT6266S Wed Oct 12 22:37:07 2022 -24.65090 -24.64580 -24.63115 -19.17555 -19.16889 -19.16162 -19.15408 -19.15096 -19.15001 -6.86646 -1.20309 -1.16157 -1.15416 -1.07729 -1.06265 -1.04975 -1.04457 -1.03664 -1.03224 -0.59723 -0.59083 -0.58648 -0.57192 -0.56784 -0.56380 -0.55398 -0.53000 -0.50273 -0.49762 -0.46853 -0.45463 -0.44151 -0.43262 -0.42265 -0.41104 -0.40310 -0.39859 -0.38971 -0.38313 -0.36940 -0.36750 -0.36633 -0.35521 -0.35042 -0.34617 -0.34480 -0.02756 0.00907 0.01598 0.02310 0.04014 0.05403 0.07541 0.08285 0.09907 0.10153 0.10862 0.11593 0.12274 0.12625 0.13948 0.14740 0.15622 0.16080 0.17070 0.17525 0.18533 0.18792 0.19529 0.20561 0.21220 0.21997 0.22597 0.23248 0.23593 0.24684 0.25139 0.25690 0.26161 0.26667 0.27228 0.28263 0.29463 0.29841 0.30281 0.30728 0.32439 0.33000 0.33563 0.34227 0.35605 0.36780 0.37045 0.38070 0.38902 0.40725 0.41123 0.43138 0.44142 0.46632 0.48255 0.48623 0.49859 0.51421 0.52291 0.53713 0.55176 0.55937 0.56485 0.57241 0.58332 0.59170 0.61229 0.61477 0.62882 0.64510 0.66919 0.77931 0.89445 0.90940 0.92766 0.94582 0.95625 0.96594 0.99396 1.00041 1.00977 1.01802 1.02898 1.04198 1.04606 1.05464 1.06045 1.06787 1.08361 1.10250 1.11778 1.14867 1.23539 1.24331 1.25429 1.27300 1.28466 1.28802 1.29682 1.30139 1.30386 1.32673 1.33813 1.34856 1.37514 1.37741 1.38512 1.39148 1.41066 1.41950 1.42739 1.43491 1.44949 1.46190 1.46758 1.47744 1.49680 1.51168 1.53543 1.54454 1.56951 1.58802 1.60813 1.61944 1.63293 1.64429 1.67046 1.70471 1.72547 1.76987 1.78623 1.80823 1.83357 1.97840 1.98796 1.99868 2.00362 2.00673 2.02030 2.03493 2.06254 2.14179 2.20477 2.22144 2.24852 2.25981 2.29259 2.29578 2.32548 2.34624 2.36910 2.40863 2.47275 2.52572 2.56151 2.57954 2.61792 2.64074 2.68593 2.69844 2.73330 2.75507 2.81087 2.83184 3.03536 3.08613 3.08995 3.10036 3.11358 3.11924 3.12742 3.13442 3.15819 3.16167 3.21079 3.26443 3.27556 3.28447 3.29576 3.29941 3.32719 3.42740 3.62050 3.62836 3.67465 3.70360 3.73342 3.74866 3.77907 3.79824 3.81281 3.82182 3.82604 3.84285 3.85696 3.86546 3.88135 3.88373 3.89858 3.90350 3.91650 3.97707 3.99193 4.09298 4.25800 4.27039 4.36727 4.64095 4.65766 4.94740 4.96394 4.98156 4.99930 5.01826 5.08322 5.33681 5.36406 5.37878 5.39608 5.44651 5.49793 5.56565 5.61622 5.63565 5.64514 5.67073 5.73176 6.32232 6.33220 6.35778 6.39069 6.41387 6.44615 6.47731 6.58006 6.62718 14.55371 49.84877 49.86062 49.89035 49.90363 49.90688 49.94045 66.83416 66.84203 66.85783 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 B F F F O H H H H H O H O H H H O H O H O H 0.927003 -0.243949 -0.433027 -0.462778 -0.860753 0.514933 0.510717 0.411638 0.310841 0.382078 -0.629730 0.366477 -0.539074 0.274243 0.272523 0.280417 -0.755769 0.430122 -0.635880 0.267135 -0.663184 0.276015 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 11 13 17 19 21 B F F F O O O O O O 0.927003 -0.243949 -0.433027 -0.462778 0.164897 0.009271 0.015587 -0.014806 0.042892 -0.005090 0.00000 -2.65365814e+00 -6.13448594e-01 2.79770129e-01 7.05317073e+01 1.49240226e+00 6.58117713e+01 -1.44863057e-01 -1.97495465e+00 6.09413127e+01 -6.9707 -3.7687 -2.2925 -0.0003 0.0008 0.0014 22.3925 37.3225 47.3629 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 22.2648 37.3023 47.3625 62.1544 67.7355 81.8192 88.3052 98.1143 170.9139 188.4016 195.9490 207.9450 222.3461 243.7782 253.7023 280.8664 305.9460 322.8903 355.1154 363.7630 379.4971 392.4571 435.0993 470.6421 492.9487 494.2175 502.1467 509.7433 525.8289 573.1529 689.6097 717.7071 727.4997 776.7426 862.5791 897.6165 990.3451 999.2907 1075.9660 1099.1670 1204.7898 1280.6993 1646.1291 1652.6643 1667.1680 1674.4847 1702.2951 1779.7945 2843.3485 3085.7727 3134.2575 3428.4334 3521.4063 3573.4967 3714.5400 3801.6983 3861.3903 3868.8520 3872.0446 3885.2540 6.9116 4.3550 6.8295 4.7705 4.3654 4.6059 3.9460 6.9254 5.2333 3.0832 1.3602 3.4330 1.7398 6.4210 5.9583 5.8279 1.5140 2.9450 2.3826 1.8922 2.2774 1.6260 1.0884 1.3570 1.3828 5.5441 1.8515 4.1952 1.2777 1.2584 1.0819 1.1692 6.7258 1.0737 1.0802 8.3876 1.3634 2.1178 1.1660 1.1990 3.0941 1.3971 1.0772 1.0766 1.0760 1.0717 1.0716 1.0637 1.0877 1.0661 1.0666 1.0638 1.0619 1.0597 1.0553 1.0703 1.0670 1.0661 1.0681 1.0690 0.0020 0.0036 0.0090 0.0109 0.0118 0.0182 0.0181 0.0393 0.0901 0.0645 0.0308 0.0875 0.0507 0.2248 0.2260 0.2709 0.0835 0.1809 0.1770 0.1475 0.1932 0.1476 0.1214 0.1771 0.1980 0.7978 0.2751 0.6423 0.2082 0.2436 0.3031 0.3549 2.0973 0.3817 0.4736 3.9817 0.7878 1.2460 0.7953 0.8535 2.6461 1.3501 1.7198 1.7325 1.7620 1.7705 1.8296 1.9851 5.1812 5.9811 6.1731 7.3670 7.7586 7.9732 8.5789 9.1137 9.3732 9.4018 9.4346 9.5079 1.1831 3.5559 2.3169 7.9987 11.8602 14.8131 1.8785 0.5963 9.3540 2.8401 106.8518 19.8833 54.3257 33.5847 11.3903 21.3772 53.5301 80.0535 51.5976 79.5851 97.6511 48.2016 53.2377 23.0075 29.3577 3.0760 1.7315 20.4435 22.3260 269.0168 65.8526 249.4594 42.6580 78.7911 117.3252 290.0612 9.3557 312.7499 161.6728 175.9402 570.1868 115.9270 84.6891 73.6367 27.5573 81.6785 42.0248 91.0949 1818.8989 461.9344 2040.1280 951.9634 719.5801 433.6125 231.9530 110.6132 89.9868 86.4351 82.4281 87.4739 0.08 0.00 0.02 0.09 -0.10 0.21 0.25 0.10 -0.03 -0.05 -0.01 -0.07 -0.01 0.01 -0.06 -0.06 -0.06 -0.13 0.03 0.00 -0.02 -0.13 -0.11 -0.11 -0.01 -0.05 0.12 -0.20 -0.02 0.14 0.08 -0.02 0.03 0.04 -0.01 0.06 -0.09 0.21 -0.04 -0.15 0.15 -0.17 0.12 -0.03 -0.02 -0.04 0.30 -0.07 -0.06 0.01 0.10 -0.07 0.10 0.03 -0.08 -0.17 -0.24 -0.11 -0.37 -0.30 -0.20 -0.03 0.09 -0.14 0.01 0.17 0.01 -0.02 0.00 0.00 0.02 -0.00 0.03 -0.09 -0.02 0.03 0.00 0.07 -0.02 0.02 -0.05 0.01 0.02 -0.08 -0.06 0.04 -0.08 -0.02 0.04 0.03 0.01 -0.00 -0.22 -0.01 0.04 0.12 -0.12 0.09 -0.10 -0.07 0.02 -0.12 0.10 -0.08 -0.01 0.19 -0.06 0.06 -0.17 0.13 0.01 0.04 -0.15 0.04 0.01 -0.02 -0.15 0.05 -0.02 -0.11 0.01 0.01 -0.08 -0.07 -0.02 -0.13 -0.07 0.07 0.33 0.11 -0.01 0.71 0.09 -0.01 -0.01 0.03 0.19 -0.04 0.05 -0.10 -0.02 0.28 -0.01 0.01 -0.01 -0.11 -0.02 -0.02 -0.11 -0.01 0.00 -0.16 -0.07 -0.04 -0.01 0.01 -0.25 0.12 -0.11 -0.16 0.12 -0.05 -0.01 -0.18 -0.09 -0.14 -0.06 -0.03 -0.05 0.07 0.25 0.09 0.11 0.38 -0.07 -0.24 -0.15 -0.09 -0.13 0.25 -0.23 0.10 -0.03 -0.17 0.08 0.06 -0.01 -0.08 0.03 -0.01 -0.03 0.04 -0.10 0.12 -0.07 -0.10 0.17 -0.10 0.08 -0.05 -0.05 0.09 -0.09 -0.00 0.13 -0.05 -0.07 0.03 -0.04 -0.03 0.06 -0.02 -0.08 0.04 -0.02 -0.05 0.06 0.01 -0.05 -0.15 -0.03 0.17 0.03 -0.04 0.03 -0.07 -0.04 -0.07 -0.08 0.22 -0.02 -0.04 0.14 -0.01 0.01 0.01 0.02 0.00 -0.02 -0.02 -0.23 0.28 0.21 0.01 0.03 0.02 0.00 -0.00 0.00 0.02 0.00 0.01 -0.20 0.04 0.26 -0.31 0.51 0.31 -0.11 -0.05 -0.07 -0.12 -0.08 -0.07 -0.03 -0.01 0.01 -0.01 -0.06 0.04 0.04 -0.09 -0.02 -0.09 0.01 0.10 -0.04 0.07 -0.07 -0.05 0.05 -0.09 -0.01 0.07 -0.02 -0.12 0.11 -0.00 0.06 0.15 -0.00 -0.02 0.11 -0.04 0.22 -0.16 -0.01 0.16 -0.04 -0.02 0.05 -0.12 0.01 0.06 -0.20 -0.10 0.48 -0.27 -0.39 0.03 -0.02 0.05 0.08 0.14 -0.04 0.06 0.07 -0.03 -0.12 0.10 0.03 -0.18 0.31 0.05 -0.11 0.11 -0.03 -0.10 0.05 0.03 0.01 0.06 -0.04 0.02 -0.00 0.09 0.11 0.09 -0.06 -0.06 0.04 -0.08 -0.03 0.04 -0.06 0.02 0.09 -0.04 -0.06 0.03 -0.11 0.09 0.07 0.00 -0.17 -0.12 0.04 0.07 -0.07 0.03 -0.00 -0.06 -0.13 -0.07 -0.06 -0.06 -0.06 -0.13 0.17 -0.29 -0.37 -0.30 0.08 -0.06 -0.20 0.02 0.37 0.18 -0.17 -0.13 0.01 -0.15 -0.16 0.05 0.04 0.16 0.03 0.04 0.24 0.04 0.16 -0.06 0.07 0.13 -0.04 0.00 -0.01 -0.04 0.02 -0.03 0.02 0.01 0.03 -0.16 -0.04 0.01 0.00 0.13 -0.07 0.03 -0.09 0.00 0.06 -0.10 -0.09 0.05 -0.08 0.04 0.05 -0.06 -0.05 -0.09 0.01 0.08 -0.09 0.06 0.03 -0.02 -0.03 0.01 -0.07 0.02 -0.06 0.23 -0.10 0.14 0.49 0.40 0.19 -0.00 -0.11 -0.13 -0.29 -0.12 -0.04 -0.10 0.06 -0.06 -0.02 -0.00 -0.01 0.14 -0.01 -0.04 0.36 0.02 0.13 -0.09 0.03 0.10 -0.06 -0.04 0.05 0.03 0.07 0.12 -0.13 -0.14 -0.10 0.04 0.12 -0.08 0.07 0.16 0.25 0.18 0.14 0.19 0.11 0.08 0.18 0.17 0.04 -0.02 -0.15 0.10 -0.12 -0.14 -0.03 -0.16 -0.10 -0.05 0.10 0.02 -0.24 0.04 0.12 -0.24 -0.03 0.06 0.02 0.00 0.12 0.13 0.15 -0.06 -0.41 -0.08 0.01 0.07 -0.17 -0.08 -0.11 -0.15 -0.06 -0.09 -0.03 -0.09 0.02 -0.10 -0.16 -0.03 -0.07 -0.08 -0.00 -0.11 -0.05 -0.10 -0.07 -0.01 -0.05 -0.04 -0.13 -0.05 -0.04 0.07 -0.06 -0.12 -0.02 -0.06 -0.05 -0.02 -0.06 -0.08 -0.01 -0.06 -0.02 -0.02 -0.02 -0.03 -0.11 -0.02 0.07 0.12 -0.25 0.14 -0.10 -0.02 -0.02 -0.04 0.01 -0.04 -0.02 0.01 0.19 0.20 0.29 0.30 0.24 0.41 -0.05 -0.06 0.02 0.11 0.09 0.36 0.07 0.10 -0.08 0.19 0.13 0.02 -0.05 -0.07 0.00 -0.05 -0.00 0.02 0.10 -0.09 0.02 0.16 -0.11 0.14 0.02 0.03 -0.00 0.01 0.06 -0.01 0.03 -0.03 -0.01 0.01 0.04 0.04 0.02 0.05 -0.01 -0.04 0.01 -0.05 0.08 0.06 0.04 -0.01 -0.25 -0.09 -0.15 0.24 -0.19 0.16 -0.13 -0.05 0.00 -0.01 0.13 0.00 0.03 0.12 -0.10 -0.03 -0.06 -0.15 -0.14 -0.24 0.02 -0.05 0.05 -0.07 0.13 -0.06 -0.07 0.14 -0.11 -0.07 0.07 -0.08 -0.08 -0.13 0.02 -0.05 0.10 0.08 0.14 -0.12 0.00 0.43 -0.07 0.49 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.02 0.02 0.02 0.00 -0.01 -0.01 0.01 -0.01 0.02 0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.07 -0.06 -0.21 -0.01 -0.01 0.04 0.05 0.03 -0.11 -0.00 -0.02 -0.04 0.01 -0.06 -0.04 -0.01 0.01 0.01 -0.02 0.04 0.04 -0.01 0.02 0.02 0.01 -0.01 -0.01 0.02 -0.05 0.06 0.01 -0.06 0.04 0.00 0.01 -0.01 0.10 0.27 0.08 -0.05 0.03 -0.09 0.45 0.06 0.77 0.04 0.01 -0.03 0.06 -0.06 -0.04 0.04 0.08 -0.02 -0.02 0.04 -0.01 0.03 0.05 -0.01 0.00 0.03 -0.02 0.09 0.06 0.04 0.01 0.09 -0.05 -0.19 -0.06 -0.23 -0.05 0.05 -0.07 -0.02 -0.07 0.25 -0.03 -0.07 0.27 0.07 -0.06 -0.03 0.30 0.16 0.41 -0.02 -0.07 0.24 -0.05 -0.49 0.02 -0.15 -0.11 -0.07 -0.12 -0.10 -0.01 0.01 0.07 -0.03 0.02 0.10 -0.02 -0.05 0.06 -0.03 -0.02 0.04 0.04 0.01 -0.01 -0.02 0.01 -0.01 -0.07 -0.00 -0.06 0.00 0.01 0.00 0.06 0.01 0.00 -0.00 0.01 0.00 0.00 0.02 0.01 0.01 0.02 0.05 -0.02 0.06 -0.13 -0.03 -0.05 0.03 -0.02 -0.05 -0.05 0.08 -0.03 -0.05 0.06 0.05 0.09 0.01 -0.26 -0.17 -0.54 -0.06 -0.06 0.07 0.17 0.69 -0.00 -0.01 -0.06 -0.02 0.03 0.02 -0.01 0.03 0.04 -0.01 0.03 0.05 -0.01 -0.04 0.03 -0.01 -0.04 0.03 -0.01 0.07 -0.06 0.02 0.07 -0.08 -0.00 -0.08 0.05 0.12 0.15 -0.08 -0.07 0.04 -0.03 0.08 0.13 -0.03 0.08 -0.01 -0.00 0.06 -0.01 0.25 -0.14 -0.02 0.27 -0.14 0.08 -0.24 0.05 -0.05 -0.05 0.02 -0.07 0.03 -0.01 -0.09 -0.01 0.03 -0.09 -0.03 -0.01 -0.16 -0.10 0.04 -0.06 -0.03 -0.01 0.05 0.18 -0.06 0.06 0.12 -0.03 -0.05 0.33 -0.17 -0.08 0.29 -0.19 -0.09 -0.25 0.03 -0.17 -0.39 -0.00 -0.07 -0.05 0.03 -0.11 0.04 0.12 -0.09 -0.04 0.04 0.05 -0.11 -0.09 -0.04 -0.08 0.00 0.03 -0.04 0.01 -0.07 -0.03 0.06 0.10 0.03 -0.05 -0.09 -0.14 -0.19 -0.11 -0.07 -0.16 0.30 0.24 0.07 0.20 0.24 0.17 0.07 0.05 0.03 -0.03 -0.02 -0.13 0.43 0.22 -0.06 0.10 0.26 0.04 -0.16 -0.06 -0.19 -0.09 -0.04 -0.10 0.08 0.03 0.02 0.13 0.06 0.04 -0.07 -0.04 -0.01 0.02 -0.07 0.17 -0.02 0.04 -0.03 -0.03 0.09 -0.03 0.12 -0.04 -0.11 -0.14 0.08 0.05 0.02 -0.01 -0.00 0.06 0.08 0.09 0.01 -0.02 -0.02 0.28 0.12 0.10 0.05 0.08 -0.04 -0.08 -0.21 -0.06 -0.03 -0.02 0.02 -0.04 0.06 -0.01 -0.07 -0.00 0.03 0.06 0.02 0.14 0.03 -0.08 -0.13 -0.12 -0.17 0.06 0.06 0.07 -0.04 0.06 0.06 -0.03 0.32 0.01 0.12 0.41 -0.18 0.12 -0.24 -0.21 -0.03 -0.17 -0.34 0.20 0.00 0.01 0.00 0.00 0.01 0.01 0.01 -0.02 -0.01 -0.02 0.02 0.01 0.01 0.00 0.01 -0.03 -0.01 0.03 0.07 -0.05 0.02 -0.05 0.06 0.07 -0.03 0.07 -0.24 0.11 0.04 0.01 0.08 -0.03 -0.03 0.17 -0.31 0.04 -0.10 0.01 0.04 -0.07 -0.00 0.03 -0.30 0.26 0.72 -0.12 0.01 0.07 0.06 -0.05 -0.07 0.05 -0.04 -0.09 -0.01 0.02 -0.00 -0.02 -0.16 -0.04 -0.00 0.03 -0.01 -0.05 -0.06 -0.02 -0.02 -0.00 -0.00 -0.01 -0.02 -0.03 0.01 0.02 -0.01 -0.02 0.01 0.05 -0.03 -0.05 -0.00 -0.04 -0.03 0.04 -0.01 -0.11 -0.04 0.03 -0.01 -0.02 -0.24 0.23 -0.06 -0.02 -0.04 0.18 0.06 -0.02 -0.10 0.03 -0.25 0.07 0.18 -0.03 -0.10 0.19 -0.08 -0.17 -0.27 0.24 0.56 0.14 0.07 -0.04 -0.15 0.12 0.13 -0.19 0.14 0.11 0.01 0.03 0.01 0.09 -0.10 0.02 -0.01 -0.08 -0.00 0.05 0.04 0.01 -0.00 -0.01 -0.01 -0.04 0.08 0.06 -0.01 -0.11 -0.01 -0.08 -0.02 -0.12 0.13 0.08 0.08 0.12 0.02 0.01 0.12 0.10 0.07 0.08 -0.11 -0.26 0.11 -0.13 0.12 -0.19 0.00 0.15 -0.01 -0.05 -0.00 0.03 -0.05 -0.04 0.04 0.00 0.00 0.10 0.01 0.04 -0.23 -0.01 0.22 -0.00 -0.00 0.06 -0.02 0.02 0.01 -0.00 0.09 -0.01 0.01 -0.03 -0.05 -0.01 0.67 0.09 -0.01 -0.01 0.03 -0.06 0.21 -0.22 -0.01 0.02 0.01 0.02 -0.05 -0.02 -0.03 0.09 0.03 0.05 0.02 0.07 -0.08 -0.02 -0.09 -0.09 -0.06 -0.17 -0.03 -0.02 -0.04 0.12 -0.07 -0.32 0.13 -0.13 0.08 -0.18 -0.01 0.13 0.02 -0.00 -0.01 0.07 -0.07 -0.02 -0.04 -0.02 0.00 -0.02 -0.03 -0.01 -0.05 0.07 0.15 -0.06 -0.01 0.02 0.02 0.01 -0.04 0.02 0.06 -0.06 0.07 -0.08 -0.00 0.15 0.70 0.20 -0.02 -0.02 0.04 -0.10 0.16 -0.23 -0.00 0.02 -0.01 0.01 -0.04 0.09 -0.10 -0.04 0.01 0.06 0.01 -0.05 0.02 0.14 -0.09 0.01 0.10 -0.20 -0.01 0.18 -0.12 -0.01 0.07 0.15 -0.30 0.39 -0.51 0.25 0.02 0.02 -0.05 -0.02 -0.01 -0.09 -0.18 0.13 0.02 0.00 -0.01 -0.09 0.02 -0.04 0.18 0.08 -0.03 0.08 0.08 -0.06 0.01 -0.02 0.06 0.03 -0.04 0.09 0.08 -0.06 0.04 -0.09 0.06 -0.01 -0.04 0.01 -0.01 -0.15 -0.25 -0.02 -0.01 0.01 -0.01 0.01 -0.05 0.07 -0.06 -0.03 -0.02 0.06 0.02 -0.02 -0.01 0.08 -0.08 -0.07 0.07 -0.06 0.09 0.09 0.04 0.03 -0.04 0.15 0.27 -0.35 0.58 -0.17 -0.04 -0.09 -0.00 -0.04 0.01 0.11 0.02 -0.13 0.01 0.00 -0.01 0.07 -0.00 0.02 -0.24 -0.05 0.18 -0.04 -0.02 0.04 -0.02 0.04 -0.03 -0.06 0.03 -0.06 0.02 0.03 0.04 0.04 -0.38 -0.04 0.00 -0.02 -0.02 0.13 0.09 0.14 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.02 0.00 -0.01 -0.00 0.02 0.01 0.04 0.07 0.05 -0.08 0.03 -0.06 0.07 -0.16 -0.01 0.10 -0.07 -0.36 -0.30 0.02 0.34 -0.02 0.01 0.00 -0.02 -0.16 0.09 -0.02 0.00 0.01 0.17 -0.14 -0.09 0.26 0.11 -0.06 -0.09 -0.06 0.07 0.02 -0.01 0.01 0.10 0.26 -0.04 -0.02 0.03 0.02 0.09 -0.22 0.01 -0.01 -0.03 -0.01 0.18 0.48 -0.04 0.01 -0.03 0.03 -0.01 0.04 -0.04 0.03 0.03 0.06 -0.02 -0.07 -0.01 0.00 0.01 -0.02 0.13 0.05 -0.11 -0.15 0.10 -0.12 -0.02 -0.00 0.25 0.06 -0.09 0.30 0.07 -0.00 -0.06 -0.05 -0.01 0.00 0.20 -0.42 0.00 0.00 0.01 0.00 0.14 -0.07 -0.03 0.46 0.29 0.09 -0.10 0.01 0.12 -0.01 0.02 -0.01 -0.11 0.01 -0.12 0.03 -0.01 -0.00 -0.31 0.09 -0.13 0.00 0.00 -0.01 -0.01 -0.11 0.05 -0.02 -0.04 -0.01 -0.06 0.02 0.01 0.00 0.06 -0.01 0.02 -0.06 0.04 0.05 0.02 -0.03 0.02 -0.02 -0.06 0.11 0.05 0.06 -0.03 0.05 0.07 0.04 -0.05 -0.18 0.09 -0.01 -0.12 0.02 -0.00 -0.00 -0.11 0.23 -0.01 -0.02 0.02 -0.02 0.50 -0.33 -0.24 -0.27 -0.18 -0.05 -0.30 -0.03 0.30 0.00 -0.03 0.04 -0.02 0.23 -0.11 0.01 -0.00 -0.00 -0.10 0.05 -0.04 0.01 0.01 -0.00 -0.03 -0.15 0.04 0.18 0.02 0.02 0.22 0.15 0.04 -0.14 -0.05 0.17 -0.21 0.04 -0.03 0.01 -0.17 -0.22 0.03 -0.15 -0.20 0.06 -0.22 -0.21 -0.01 -0.01 0.20 0.19 -0.20 -0.24 -0.13 -0.02 -0.05 0.02 -0.00 0.01 -0.22 0.22 0.12 0.00 -0.00 -0.01 0.11 -0.03 0.01 -0.22 -0.16 -0.05 -0.06 -0.01 0.06 -0.01 -0.00 0.02 0.15 0.22 0.09 0.01 0.02 0.00 -0.21 -0.06 -0.12 0.01 -0.01 -0.01 0.09 0.10 0.06 0.02 0.08 0.02 0.08 -0.04 -0.02 -0.01 -0.09 0.02 0.00 0.09 -0.08 -0.09 -0.01 0.07 -0.15 -0.03 0.09 -0.08 -0.08 0.03 -0.02 0.10 -0.20 -0.09 0.07 0.15 0.18 0.01 -0.07 -0.01 0.02 0.00 0.09 -0.05 -0.06 -0.00 0.02 -0.02 0.45 -0.23 -0.12 0.15 0.05 -0.06 -0.33 0.06 0.36 0.00 -0.01 0.01 -0.19 0.04 -0.23 -0.01 -0.02 0.00 0.23 0.02 0.12 0.00 0.01 0.01 -0.11 -0.22 -0.01 -0.01 -0.03 0.15 -0.01 0.04 -0.15 0.14 -0.03 0.18 -0.02 -0.14 -0.10 -0.14 0.20 -0.06 -0.29 0.07 -0.21 0.03 0.23 0.17 0.02 0.03 -0.15 -0.04 0.05 -0.17 -0.06 -0.00 0.06 0.04 -0.01 -0.02 -0.07 0.26 -0.05 0.00 -0.01 0.00 -0.08 0.06 0.06 -0.40 -0.19 0.03 0.07 -0.03 -0.07 0.00 -0.01 0.01 0.07 -0.02 0.09 0.01 -0.00 0.05 0.35 -0.25 0.14 -0.01 -0.01 0.00 0.02 0.09 -0.01 0.02 -0.03 -0.02 -0.00 0.03 0.02 -0.02 0.02 0.00 -0.02 -0.04 0.03 0.05 -0.01 -0.06 -0.02 -0.03 -0.02 0.11 0.02 0.05 0.02 -0.02 -0.15 -0.36 0.40 0.23 0.00 0.05 0.32 -0.02 0.00 0.02 0.18 0.02 -0.18 0.02 0.00 -0.00 0.00 0.06 0.07 0.01 -0.04 -0.07 -0.14 0.17 0.20 0.04 -0.02 -0.02 -0.27 -0.29 -0.23 -0.02 0.02 0.01 0.22 -0.14 0.08 -0.01 -0.01 -0.00 0.04 0.20 -0.06 0.02 -0.03 -0.02 0.00 0.03 0.02 -0.02 0.02 -0.01 -0.02 -0.04 0.02 0.06 0.01 -0.03 -0.07 -0.04 0.02 0.05 0.01 -0.05 -0.02 0.10 -0.42 0.17 -0.20 -0.02 0.15 -0.00 -0.16 -0.03 -0.00 -0.01 -0.01 -0.19 0.07 -0.01 0.01 0.01 0.01 -0.04 -0.05 0.22 0.14 0.01 0.08 -0.10 -0.11 -0.02 0.02 0.00 0.10 0.11 0.10 -0.06 0.01 0.01 0.56 -0.19 0.24 0.01 0.02 0.02 -0.13 -0.26 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.10 -0.10 -0.04 0.11 -0.02 0.13 -0.12 0.25 0.05 0.04 -0.08 0.05 0.34 0.11 0.54 -0.01 0.01 0.01 0.22 0.02 -0.21 -0.01 0.03 0.04 0.10 -0.18 -0.20 -0.03 -0.04 -0.06 0.23 -0.30 -0.31 -0.03 -0.01 -0.02 0.00 0.06 -0.00 0.01 -0.01 -0.00 -0.07 0.05 -0.03 -0.01 -0.01 -0.03 0.03 -0.02 0.04 0.02 -0.00 -0.02 0.02 0.01 0.00 -0.01 0.01 -0.03 0.00 -0.03 0.01 -0.02 0.02 0.03 -0.08 -0.04 -0.01 0.00 -0.01 0.02 -0.12 0.26 0.02 0.21 -0.23 -0.04 0.29 0.09 0.42 0.01 0.00 -0.01 -0.15 0.02 0.13 0.01 -0.05 -0.04 -0.19 0.26 0.29 0.01 -0.01 -0.03 -0.23 0.34 0.32 -0.02 0.01 -0.00 0.05 0.16 -0.01 0.01 -0.01 0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.02 0.02 -0.05 0.06 0.14 -0.07 -0.11 0.26 0.10 0.04 -0.13 0.05 -0.22 -0.05 -0.24 0.08 -0.22 0.14 0.18 -0.19 0.10 0.09 -0.19 0.11 0.17 0.07 -0.13 0.10 -0.14 0.15 -0.01 -0.21 -0.06 -0.25 0.02 0.01 -0.00 0.18 0.04 -0.17 -0.00 0.03 0.03 0.11 -0.18 -0.21 -0.08 -0.02 0.03 0.18 -0.24 -0.23 0.01 -0.01 0.01 -0.02 -0.08 0.02 0.03 -0.02 0.01 -0.12 0.08 -0.04 0.00 -0.00 0.01 0.01 0.06 -0.03 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.16 -0.13 -0.03 0.22 0.03 0.32 -0.05 0.11 0.04 0.05 -0.04 -0.31 -0.18 -0.06 -0.24 -0.03 0.01 0.01 0.51 -0.08 -0.45 0.01 -0.02 -0.01 -0.12 0.12 0.12 0.07 0.01 -0.06 -0.04 0.12 0.07 -0.02 0.00 0.04 0.02 0.20 -0.02 0.01 0.00 -0.00 -0.04 0.02 -0.02 0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 0.04 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.03 0.01 0.02 -0.34 -0.33 -0.21 0.15 -0.16 -0.01 -0.24 0.54 0.04 -0.07 0.09 0.10 -0.27 -0.07 -0.16 -0.01 0.00 -0.01 -0.22 -0.05 0.22 -0.00 0.01 0.00 0.06 -0.05 -0.05 0.11 0.07 0.01 0.01 -0.04 -0.02 0.02 -0.00 -0.01 -0.01 -0.12 0.02 0.01 -0.01 0.00 -0.03 0.03 -0.01 0.01 -0.02 0.00 0.11 0.21 0.01 -0.26 0.44 0.52 0.12 -0.00 -0.03 -0.04 -0.01 -0.20 0.01 -0.19 -0.00 0.11 -0.07 -0.07 0.19 0.13 -0.07 0.03 -0.19 -0.15 0.13 -0.33 -0.05 0.02 -0.04 -0.01 0.19 0.05 0.16 -0.02 -0.01 0.03 0.06 -0.01 -0.07 -0.01 -0.01 -0.01 0.04 0.00 0.02 -0.07 -0.05 0.01 0.04 0.03 -0.03 -0.02 -0.00 0.00 0.01 0.03 -0.02 -0.02 0.04 -0.02 -0.01 0.02 -0.02 -0.01 0.01 -0.01 -0.06 -0.10 0.00 0.02 -0.10 0.11 0.00 0.00 -0.01 -0.01 0.01 -0.04 0.00 0.04 -0.01 0.01 -0.00 0.01 0.35 0.14 -0.11 -0.44 0.15 -0.37 -0.22 0.48 -0.06 -0.01 0.01 -0.05 -0.11 -0.03 -0.07 0.01 -0.00 0.02 0.16 0.08 -0.16 0.00 -0.01 0.01 -0.05 0.01 -0.00 -0.15 -0.08 0.02 0.04 0.03 -0.04 0.00 -0.01 0.01 -0.09 0.13 -0.16 -0.01 -0.03 0.00 0.10 -0.02 0.06 0.01 -0.01 0.00 0.05 0.07 0.02 -0.04 0.20 -0.19 -0.00 -0.01 0.01 0.02 -0.02 0.08 0.00 -0.09 0.03 0.00 0.02 -0.01 0.15 0.32 0.42 -0.15 -0.25 -0.48 -0.17 0.36 -0.00 -0.00 0.01 -0.05 -0.09 -0.02 -0.05 0.00 0.00 0.02 0.18 0.04 -0.16 -0.00 -0.00 -0.00 -0.02 0.03 0.04 -0.12 -0.07 0.00 0.02 -0.06 -0.02 -0.00 -0.00 0.01 -0.04 0.06 -0.07 -0.00 -0.03 -0.01 0.04 0.03 0.03 0.01 -0.01 0.00 0.04 0.05 0.01 -0.08 -0.02 -0.00 0.04 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.03 -0.03 0.23 0.25 0.25 0.01 0.32 0.37 -0.13 0.27 -0.01 -0.01 0.01 0.02 -0.04 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.02 0.14 -0.06 -0.05 0.05 0.05 0.03 -0.12 0.04 0.12 -0.01 0.01 -0.02 0.26 -0.34 0.47 -0.00 -0.02 -0.01 0.03 0.03 0.02 0.00 -0.01 0.00 0.04 0.10 -0.01 0.10 0.02 0.02 -0.05 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.02 0.03 -0.08 -0.16 -0.23 -0.12 -0.21 -0.37 0.05 -0.11 -0.02 0.02 -0.02 -0.04 0.05 0.02 0.06 -0.00 0.00 0.02 0.25 0.02 -0.22 -0.01 0.01 -0.02 0.14 -0.06 -0.03 -0.04 -0.04 -0.01 -0.14 0.06 0.14 -0.02 0.01 -0.01 0.30 -0.35 0.53 0.00 0.01 0.01 -0.00 -0.03 -0.01 -0.00 0.00 0.00 -0.01 0.02 -0.02 0.36 0.10 0.13 -0.14 -0.04 -0.02 -0.03 0.00 -0.04 -0.02 -0.02 -0.00 -0.04 -0.01 -0.05 0.09 0.39 0.60 0.26 0.04 0.33 -0.09 0.18 0.03 -0.03 0.03 0.05 -0.04 -0.01 -0.03 -0.00 -0.00 -0.01 -0.12 -0.03 0.11 -0.01 -0.00 0.01 0.05 -0.04 -0.03 0.07 0.05 0.01 0.07 -0.01 -0.08 0.00 -0.00 -0.00 -0.03 0.04 -0.06 0.00 -0.02 -0.01 -0.02 0.10 0.01 0.00 -0.01 0.00 0.03 0.05 -0.00 -0.06 -0.14 0.08 0.03 0.02 -0.00 -0.00 0.01 -0.01 0.01 0.02 -0.01 -0.00 0.05 -0.03 -0.27 0.22 0.56 0.33 -0.54 -0.30 0.00 -0.01 0.07 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 0.05 -0.04 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.01 -0.05 -0.03 0.04 0.03 -0.00 0.00 -0.00 0.02 -0.04 0.05 0.01 -0.01 -0.01 -0.06 0.09 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.01 -0.00 -0.02 -0.01 -0.02 -0.03 -0.04 0.26 -0.20 0.19 0.20 -0.35 0.02 0.21 -0.01 -0.03 -0.00 -0.07 0.36 -0.15 -0.01 -0.01 -0.00 0.06 0.01 0.05 0.19 0.20 0.18 0.04 0.08 -0.02 -0.00 -0.03 -0.02 0.27 0.35 0.11 -0.01 -0.00 -0.02 0.18 0.07 0.09 0.02 0.02 -0.02 -0.06 -0.31 0.10 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.01 -0.06 0.02 0.02 0.03 -0.07 -0.05 0.47 0.06 -0.05 -0.06 -0.30 0.02 0.17 0.01 0.04 0.00 0.08 -0.43 0.18 0.00 0.00 0.00 -0.02 -0.01 -0.03 -0.22 -0.24 -0.21 -0.02 -0.03 0.02 0.00 0.01 0.00 -0.08 -0.17 -0.01 -0.02 -0.00 -0.04 0.34 0.12 0.17 0.02 0.01 -0.02 -0.05 -0.24 0.09 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.03 -0.03 0.24 0.19 -0.18 -0.25 0.01 0.01 0.02 -0.01 -0.04 -0.00 -0.09 0.41 -0.14 0.03 0.02 0.00 -0.26 -0.02 -0.18 0.20 0.22 0.19 -0.16 -0.27 0.13 0.00 0.03 0.02 -0.28 -0.38 -0.12 -0.01 -0.00 -0.02 0.16 0.07 0.08 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.05 0.01 -0.02 -0.00 -0.08 -0.07 0.48 -0.05 0.04 0.08 0.48 -0.03 -0.27 -0.00 -0.00 0.00 0.00 0.03 -0.02 -0.01 -0.01 -0.00 0.11 0.01 0.08 0.02 0.02 0.01 0.07 0.11 -0.06 -0.01 -0.01 -0.00 0.09 0.17 0.02 -0.01 -0.00 -0.04 0.33 0.12 0.16 -0.04 -0.02 0.02 0.10 0.42 -0.13 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 -0.01 0.02 -0.03 0.02 -0.01 0.00 -0.00 0.02 0.14 -0.13 -0.18 -0.08 0.01 0.06 -0.00 -0.01 -0.00 -0.04 0.14 -0.04 -0.05 -0.02 0.00 0.51 -0.00 0.28 0.06 0.07 0.06 0.32 0.44 -0.28 0.01 0.02 0.01 -0.23 -0.31 -0.09 -0.00 0.00 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.07 0.02 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 0.02 0.02 0.60 0.18 -0.41 0.44 -0.45 0.11 -0.03 0.06 -0.07 0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.02 0.00 -0.00 -0.00 0.00 0.03 -0.00 0.02 0.07 0.04 0.00 0.02 0.03 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.01 0.04 -0.05 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.06 0.04 -0.46 0.76 -0.40 0.10 0.10 -0.08 -0.10 -0.03 -0.04 -0.00 0.00 -0.00 -0.01 -0.03 0.01 0.00 -0.00 -0.00 0.02 0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.03 0.02 0.07 -0.13 0.06 0.53 0.48 -0.44 -0.00 -0.00 0.00 0.03 0.02 0.00 -0.00 0.02 -0.01 -0.00 -0.00 -0.01 0.09 0.06 0.08 0.00 0.00 0.00 -0.01 -0.01 0.02 -0.00 0.02 -0.01 -0.03 0.01 -0.02 0.02 -0.01 -0.02 -0.36 0.16 0.31 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 0.06 -0.09 0.04 0.32 0.28 -0.26 -0.04 -0.02 -0.01 -0.04 -0.03 0.00 0.01 -0.08 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.02 0.02 -0.02 0.00 0.01 -0.00 0.04 -0.01 0.02 -0.04 0.02 0.03 0.61 -0.26 -0.53 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.05 0.08 -0.05 0.04 0.04 -0.03 0.86 0.38 0.14 -0.00 0.00 0.00 -0.00 0.22 -0.04 0.00 0.00 0.00 -0.07 -0.04 -0.07 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.01 -0.03 -0.05 -0.02 -0.01 -0.05 -0.02 0.07 -0.00 -0.01 0.00 0.04 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 -0.06 0.05 0.19 0.08 0.03 0.01 0.00 0.01 0.03 -0.45 0.08 -0.03 -0.02 -0.03 0.55 0.30 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 0.07 -0.06 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.04 -0.01 -0.03 -0.01 -0.00 -0.00 -0.01 -0.01 0.02 0.00 0.03 -0.01 -0.04 0.03 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 0.02 -0.14 -0.06 -0.02 0.02 0.02 0.01 -0.06 0.83 -0.14 -0.02 -0.01 -0.02 0.30 0.17 0.32 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.03 0.05 -0.04 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.08 -0.03 -0.07 0.01 0.00 0.00 0.01 0.01 -0.02 -0.00 -0.05 0.01 0.10 -0.06 -0.05 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.02 -0.05 -0.00 -0.03 0.04 0.19 -0.15 -0.00 0.01 -0.01 0.71 -0.16 0.64 0.00 -0.00 -0.00 -0.04 0.01 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.05 0.04 0.28 0.76 -0.53 -0.00 0.00 -0.00 -0.18 0.01 -0.14 0.00 -0.00 -0.00 -0.02 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.07 -0.03 -0.04 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.05 -0.41 -0.20 0.89 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.66 0.58 0.05 0.00 -0.01 -0.00 -0.01 0.02 -0.02 0.02 0.02 0.02 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.19 -0.36 0.24 -0.00 0.00 -0.01 -0.04 -0.03 -0.00 0.02 -0.03 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.02 0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.35 0.30 0.02 0.00 -0.01 -0.00 0.03 -0.04 0.03 -0.06 -0.06 -0.07 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.35 0.67 -0.44 -0.01 0.00 -0.01 -0.02 -0.02 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.09 0.04 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.07 0.06 0.00 -0.01 -0.12 0.04 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.05 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.05 0.03 0.03 0.80 -0.35 -0.45 5 9 9 9 8 1 1 1 1 1 8 1 8 1 1 1 8 1 8 1 8 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 5 9 9 9 8 1 1 1 1 1 8 1 8 1 1 1 8 1 8 1 8 1 11.00931 18.99840 18.99840 18.99840 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 176.06790 1842.40377 2740.01327 3256.24491 0.99999 0.00473 0.00114 -0.00472 0.99991 -0.01272 -0.0012 0.01272 0.99992 asymmetric 1 0.04701 0.03161 0.02660 0.97956 0.65866 0.55424 433212.4 32.03 53.67 68.14 89.43 97.46 117.72 127.05 141.16 245.91 271.07 281.93 299.19 319.91 350.74 365.02 404.10 440.19 464.57 510.93 523.37 546.01 564.66 626.01 677.15 709.24 711.07 722.48 733.41 756.55 824.64 992.19 1032.62 1046.71 1117.56 1241.06 1291.47 1424.89 1437.76 1548.08 1581.46 1733.42 1842.64 2368.41 2377.82 2398.68 2409.21 2449.22 2560.73 4090.94 4439.74 4509.50 4932.75 5066.52 5141.46 5344.39 5469.80 5555.68 5566.42 5571.01 5590.01 0.165002 0.183207 0.184151 0.118147 -783.384688 -783.366484 -783.365539 -783.431543 114.964 61.680 138.917 0.000 0.000 0.000 0.889 2.981 41.404 0.889 2.981 31.175 113.186 55.718 66.338 1 0.593 1.985 6.421 2 0.594 1.982 5.397 3 0.595 1.979 4.925 4 0.597 1.972 4.388 5 0.598 1.970 4.218 6 0.600 1.962 3.847 7 0.601 1.957 3.697 8 0.604 1.950 3.491 9 0.626 1.878 2.425 10 0.633 1.856 2.243 11 0.636 1.846 2.171 12 0.641 1.829 2.062 13 0.648 1.807 1.940 14 0.659 1.773 1.775 15 0.665 1.757 1.705 16 0.681 1.709 1.528 17 0.696 1.662 1.384 18 0.708 1.630 1.295 19 0.731 1.565 1.143 20 0.737 1.547 1.106 21 0.749 1.514 1.041 22 0.760 1.486 0.991 23 0.796 1.394 0.842 24 0.828 1.315 0.736 25 0.849 1.266 0.676 26 0.850 1.263 0.673 27 0.857 1.245 0.653 28 0.865 1.228 0.634 29 0.881 1.193 0.597 30 0.929 1.089 0.498 0.453238e-54 -54.343674 -125.130933 0.356331e+22 21.551853 49.624976 0.340078e-68 -68.468421 -157.654365 1 0.930278e+01 0.968613 2.230313 2 0.554778e+01 0.744119 1.713398 3 0.436578e+01 0.640062 1.473796 4 0.332157e+01 0.521343 1.200436 5 0.304574e+01 0.483693 1.113744 6 0.251634e+01 0.400769 0.922804 7 0.232902e+01 0.367174 0.845450 8 0.209247e+01 0.320660 0.738347 9 0.117875e+01 0.071423 0.164458 10 0.106292e+01 0.026501 0.061020 11 0.101915e+01 0.008237 0.018967 12 0.955920e+00 -0.019578 -0.045081 13 0.888741e+00 -0.051225 -0.117950 14 0.802946e+00 -0.095313 -0.219467 15 0.767935e+00 -0.114675 -0.264050 16 0.684217e+00 -0.164806 -0.379480 17 0.619506e+00 -0.207955 -0.478833 18 0.581177e+00 -0.235692 -0.542700 19 0.517814e+00 -0.285826 -0.658139 20 0.502606e+00 -0.298772 -0.687948 21 0.476602e+00 -0.321845 -0.741074 22 0.456647e+00 -0.340419 -0.783844 23 0.398859e+00 -0.399181 -0.919148 24 0.358197e+00 -0.445878 -1.026672 25 0.335488e+00 -0.474323 -1.092168 26 0.334254e+00 -0.475923 -1.095853 27 0.326676e+00 -0.485882 -1.118785 28 0.319624e+00 -0.495360 -1.140610 29 0.305326e+00 -0.515236 -1.186375 30 0.267687e+00 -0.572373 -1.317938 0.267366e+08 7.427106 17.101544 1 0.981621e+01 0.991944 2.284035 2 0.607027e+01 0.783208 1.803402 3 0.489432e+01 0.689692 1.588075 4 0.385899e+01 0.586473 1.350405 5 0.358651e+01 0.554672 1.277179 6 0.306553e+01 0.486506 1.120221 7 0.288209e+01 0.459708 1.058516 8 0.265138e+01 0.423472 0.975081 9 0.178041e+01 0.250521 0.576846 10 0.167465e+01 0.223924 0.515604 11 0.163519e+01 0.213569 0.491761 12 0.157879e+01 0.198324 0.456657 13 0.151974e+01 0.181768 0.418536 14 0.144590e+01 0.160138 0.368731 15 0.141637e+01 0.151175 0.348094 16 0.134744e+01 0.129509 0.298206 17 0.129611e+01 0.112641 0.259366 18 0.126666e+01 0.102660 0.236383 19 0.121981e+01 0.086293 0.198698 20 0.120895e+01 0.082409 0.189754 21 0.119076e+01 0.075824 0.174592 22 0.117715e+01 0.070830 0.163093 23 0.113960e+01 0.056752 0.130677 24 0.111507e+01 0.047300 0.108913 25 0.110212e+01 0.042230 0.097239 26 0.110144e+01 0.041960 0.096615 27 0.109726e+01 0.040309 0.092815 28 0.109343e+01 0.038791 0.089320 29 0.108585e+01 0.035771 0.082366 30 0.106715e+01 0.028224 0.064989 0.100000e+01 0.000000 0.000000 0.918278e+08 7.962974 18.335426 0.145135e+07 6.161773 14.188006 as ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -6.7449 -1.5592 0.7111 6.9592 -59.8688 -57.4875 -60.1910 2.6457 -1.9684 -7.5128 -0.6864 1.6949 -1.0086 2.6457 -1.9684 -7.5128 -94.3847 -8.1943 3.3713 -15.0100 -10.2115 4.4673 9.0334 -6.3486 2.5176 -0.5470 -1090.4096 -792.0309 -423.6639 -10.9655 -34.7268 30.9867 -77.8342 8.0439 -50.8279 -263.0699 -308.0074 -188.6215 18.1038 -19.1906 2.5909 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -783.5496901 2.308E-9 1.063E-5 0.1650019 0.1832066 -783.3664835 -783.3655394 -783.4315434 -1.0302913,-2.3991288,3.4294201,1.0060431,-1.2267463,-5.1584024 C01 [X(B1F3H12O6)] -2.5449082 -0.7045876 0.7235266 2.1221566 0.0417914 -0.0755645 0.0002024 1.8131869 0.0206413 -0.1516465 0.0144991 1.712583 -1.0580978 -0.2234539 0.0943927 -0.2331091 -0.5482251 0.0288578 0.1071203 0.0271113 -0.4504122 -0.6421925 -0.0839721 -0.1808388 -0.0665286 -0.5835966 -0.0995531 -0.1616282 -0.1366697 -0.8781891 -0.5847246 -0.0356223 -0.0156283 -0.0353066 -0.9411201 0.2032896 -0.0190789 0.2348869 -0.6264461 -1.0163881 0.2467423 0.1157174 0.2879446 -0.9043268 0.1336929 0.145656 0.1478217 -1.0285176 0.6705889 -0.3172186 0.4016838 -0.3062243 0.5603229 -0.2797931 0.4493326 -0.3365985 0.631358 0.5224054 0.215942 -0.3526607 0.2404312 0.4189389 -0.261264 -0.3598353 -0.2377138 0.7732123 0.7373787 0.2427381 -0.1043611 0.2460445 0.4632787 -0.0874312 -0.1243003 -0.0943427 0.2567849 0.298051 0.0085165 0.0108487 -0.0383886 0.2146379 0.0004759 -0.0023875 -0.0350964 0.3073373 0.3127051 -0.1538748 0.1110544 -0.1549098 0.6530481 -0.1768037 0.1297187 -0.1616599 0.3494744 -0.7750099 -0.1833104 0.1184207 -0.1903007 -0.5590726 -0.0657728 0.1095471 -0.0330261 -0.8621381 0.4794208 0.162275 0.1591116 0.1481094 0.3816698 0.1978651 0.1699829 0.1915735 0.4670382 -0.791481 0.0960263 0.1111804 0.0997264 -0.661391 -0.1267933 0.1133071 -0.1365205 -0.6380877 0.2915771 0.0259238 0.0271835 0.0444948 0.3827436 0.0549639 -0.0151996 0.0273716 0.3201736 0.2972042 0.0004225 -0.0238979 0.0143326 0.2288407 0.0770625 -0.0255675 0.030016 0.3475586 0.3821082 0.0766618 0.0448316 0.0498421 0.4291363 0.0416065 0.0929229 0.0787902 0.3003617 -0.9426354 0.1256002 0.0453313 0.1735378 -0.6966303 -0.0610923 0.053907 -0.0402697 -0.8252012 0.833301 -0.2275787 -0.3343973 -0.2182645 0.3052895 0.1330548 -0.3459287 0.1495434 0.4877651 -0.9551636 0.0538436 -0.1055631 0.024632 -0.7642681 0.2359879 -0.1373247 0.2506854 -0.595353 0.2944356 -0.0215533 -0.0105704 -0.0182766 0.3452129 -0.0855423 0.0096662 -0.0501808 0.2470521 -0.7379953 -0.0552772 -0.1023129 -0.0443188 -0.831668 0.095715 -0.1434491 0.1061774 -0.5714936 0.2623557 0.0053782 0.0660388 -0.0236703 0.2939924 0.0208327 0.1051854 0.0036017 0.2751393 70.1081907|1.5880994|64.204369|-1.0879943|-3.2999261|62.9722316 -0.000006060 -0.000006162 0.000009984 0.000014843 0.000007347 -0.000000494 -0.000008989 -0.000003540 -0.000009086 0.000007706 0.000002364 0.000007265 -0.000002010 0.000004253 -0.000005703 -0.000002627 0.000005817 -0.000002870 -0.000002906 -0.000008655 0.000019170 0.000004110 0.000010074 -0.000002668 0.000007980 -0.000014278 0.000006445 -0.000012910 0.000009061 -0.000011690 0.000005712 0.000009850 -0.000014034 -0.000012865 -0.000016909 0.000002625 0.000023556 -0.000034940 -0.000013740 -0.000013379 0.000012201 0.000003095 0.000004817 0.000000823 0.000000255 -0.000018907 0.000007105 0.000000528 -0.000001092 0.000027666 0.000015471 -0.000001569 -0.000000059 -0.000004918 0.000006473 -0.000015279 -0.000001769 -0.000001005 0.000004398 -0.000003170 0.000017408 0.000004476 -0.000002050 -0.000008288 -0.000005611 0.000007355 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7381,.1636,-.2176;2.9682,.7227,-.395;1.1003,-.1213,-1.4427;1.7658,-.9913,.5931;.8341,1.1654,.5287;.2193,1.6873,-.0905;.2814,.7522,1.2565;-1.6494,1.8266,-.9933;-2.8887,-2.1872,.9154;-2.8457,-.0254,-.2086;-.7056,.0744,2.3478;-1.3168,-.5513,1.9063;-.2157,-2.4919,-.6568;-.0339,-1.93,-1.4235;-.2207,-.4318,3.0077;.558,-2.3136,-.0965;-2.2524,-1.5015,.6886;-1.5335,-1.9408,.1477;-.8094,2.3363,-1.0644;-.5058,2.2322,-1.9727;-3.0182,.8054,-.6954;-3.808,1.1939,-.3081; Gaussian 16 12-Oct-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 60 C1[X(BF3H12O6)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7381,.1636,-.2176;2.9682,.7227,-.395;1.1003,-.1213,-1.4427;1.7658,-.9913,.5931;.8341,1.1654,.5287;.2193,1.6873,-.0905;.2814,.7522,1.2565;-1.6494,1.8266,-.9933;-2.8887,-2.1872,.9154;-2.8457,-.0254,-.2086;-.7056,.0744,2.3478;-1.3168,-.5513,1.9063;-.2157,-2.4919,-.6568;-.0339,-1.93,-1.4235;-.2207,-.4318,3.0077;.558,-2.3136,-.0965;-2.2524,-1.5015,.6886;-1.5335,-1.9408,.1477;-.8094,2.3363,-1.0644;-.5058,2.2322,-1.9727;-3.0182,.8054,-.6954;-3.808,1.1939,-.3081; oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/gas/CONF #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 6Agua-BF3 CONF19 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 11 19 19 19 16 1 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 3 1 1 1 0 1 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 302 A 292 A 292 456 302 46 46 682.4862398306 22 22 22 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0218804242 0.000000 1.362730 0.000000 1.410233 2.301934 0.000000 1.411248 2.315057 2.311709 0.000000 1.542076 2.367168 2.369185 2.350189 0.000000 2.155195 2.929090 2.424006 3.167609 1.016778 0.000000 2.154422 3.153858 2.952827 2.383959 1.002889 1.640913 0.000000 3.852662 4.785271 3.399622 4.703290 2.986938 2.080048 3.153433 0.000000 5.312034 6.669908 5.073533 4.816524 5.024838 5.067891 4.336649 4.614101 0.000000 4.587698 5.864712 4.135540 4.779276 3.937301 3.512991 3.539769 2.340185 2.437010 0.000000 3.544210 4.630332 4.203289 3.212902 2.621090 3.066323 1.620101 3.889002 3.454382 3.335474 0.000000 3.788777 5.027923 4.152477 3.379468 3.077522 3.370175 2.162353 3.764679 2.475700 2.662143 0.979789 0.000000 3.325897 4.531964 2.822930 2.782138 3.985364 4.239747 3.798930 4.562700 3.116034 3.633366 3.981638 3.398208 0.000000 2.996232 4.136068 2.134986 2.861277 3.761171 3.863447 3.804781 4.111860 3.699550 3.606899 4.323426 3.825518 0.967785 0.000000 3.820283 4.804212 4.652706 3.176480 3.131939 3.779291 2.172752 4.811412 3.818038 4.171370 0.962671 1.558439 4.203875 4.681406 0.000000 2.746553 3.888021 2.629134 1.919042 3.545462 4.015199 3.362445 4.776853 3.594409 4.102874 3.643301 3.260632 0.971787 1.502860 3.712615 0.000000 4.417894 5.777116 4.205664 4.051577 4.082184 4.109083 3.438300 3.777394 0.962599 1.826486 2.762061 1.805825 2.634191 3.092939 3.263447 3.028866 0.000000 3.907100 5.258673 3.574471 3.462013 3.924155 4.036327 3.431541 3.938080 1.576881 2.348923 3.096224 2.251689 1.639434 2.172076 3.489954 2.138508 1.001086 0.000000 3.453606 4.161900 3.135233 4.522305 2.570999 1.558133 3.014235 0.985168 5.357756 3.233613 4.095158 4.173812 4.881566 4.351055 4.958914 4.942445 4.459139 4.504083 0.000000 3.520608 4.103165 2.898204 4.704692 3.031591 2.089340 3.638372 1.559404 5.792352 3.699166 4.833554 4.842779 4.912539 4.224775 5.655330 5.031532 4.906526 4.792337 0.963318 0.000000 4.823201 5.994495 4.287138 5.270240 4.058158 3.409568 3.834131 1.733537 3.401113 0.978238 3.891540 3.391830 4.327588 4.113284 4.803107 4.782941 2.797146 3.233698 2.712710 3.159075 0.000000 5.641747 6.793071 5.206575 6.054298 4.717010 4.063214 4.400733 2.351410 3.711380 1.556482 4.234649 3.762369 5.158627 5.024641 5.148396 5.604411 3.267842 3.899643 3.296780 3.841050 0.961591 0.000000 BF3H12O6 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 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7791,.0354,-.0272;3.0641,.4773,.0749;1.2387,.2591,-1.3105;1.6293,-1.3215,.3306;.898,.8197,.966;.3925,1.5877,.5319;.2448,.2495,1.47;-1.3626,2.2381,-.3756;-3.1206,-2.0164,-.0618;-2.7838,.379,-.3578;-.8967,-.6418,2.196;-1.5148,-1.0059,1.5287;-.3462,-2.0708,-1.4793;-.0442,-1.3062,-1.9901;-.5226,-1.3941,2.666;.383,-2.1833,-.8469;-2.4086,-1.3717,.0028;-1.6822,-1.6797,-.6133;-.4786,2.6422,-.2145;-.0999,2.8195,-1.0823;-2.8367,1.3398,-.5341;-3.6232,1.6608,-.0836; 0.9795579 0.6586615 0.5542400 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. One-electron integral symmetry used in STVInt NBasis= 292 RedAO= T EigKep= 2.04D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 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= 302 302 302 302 302 MxSgAt= 22 MxSgA2= 22. 1 Closed 1 1 1 -783.549690130744 -783.549690131 1 7.811744619705e+02 -3.224285509928e+03 9.770969984203e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1887248410 LenY= 1887156765 Requested convergence on RMS density matrix=1.00D-08 within 128 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. PT110S Wed Oct 12 22:37:23 2022 -24.65090 -24.64580 -24.63115 -19.17555 -19.16889 -19.16162 -19.15408 -19.15096 -19.15001 -6.86646 -1.20309 -1.16157 -1.15416 -1.07729 -1.06265 -1.04975 -1.04457 -1.03664 -1.03224 -0.59723 -0.59083 -0.58648 -0.57192 -0.56784 -0.56380 -0.55398 -0.53000 -0.50273 -0.49762 -0.46853 -0.45463 -0.44151 -0.43262 -0.42265 -0.41104 -0.40310 -0.39859 -0.38971 -0.38313 -0.36940 -0.36750 -0.36633 -0.35521 -0.35042 -0.34617 -0.34480 -0.02756 0.00907 0.01598 0.02310 0.04014 0.05403 0.07541 0.08285 0.09907 0.10153 0.10862 0.11593 0.12274 0.12625 0.13948 0.14740 0.15622 0.16080 0.17070 0.17525 0.18533 0.18792 0.19529 0.20561 0.21220 0.21997 0.22597 0.23248 0.23593 0.24684 0.25139 0.25690 0.26161 0.26667 0.27228 0.28263 0.29463 0.29841 0.30281 0.30728 0.32439 0.33000 0.33563 0.34227 0.35605 0.36780 0.37045 0.38070 0.38902 0.40725 0.41123 0.43138 0.44142 0.46632 0.48255 0.48623 0.49859 0.51421 0.52291 0.53713 0.55176 0.55937 0.56485 0.57241 0.58332 0.59170 0.61229 0.61477 0.62882 0.64510 0.66919 0.77931 0.89445 0.90940 0.92766 0.94582 0.95625 0.96594 0.99396 1.00041 1.00977 1.01802 1.02898 1.04198 1.04606 1.05464 1.06045 1.06787 1.08361 1.10250 1.11778 1.14867 1.23539 1.24331 1.25429 1.27300 1.28466 1.28802 1.29682 1.30139 1.30386 1.32673 1.33813 1.34856 1.37514 1.37741 1.38512 1.39148 1.41066 1.41950 1.42739 1.43491 1.44949 1.46190 1.46758 1.47744 1.49680 1.51168 1.53543 1.54454 1.56951 1.58802 1.60813 1.61944 1.63293 1.64429 1.67046 1.70471 1.72547 1.76987 1.78623 1.80823 1.83357 1.97840 1.98796 1.99868 2.00362 2.00673 2.02030 2.03493 2.06254 2.14179 2.20477 2.22144 2.24852 2.25981 2.29259 2.29578 2.32548 2.34624 2.36910 2.40863 2.47275 2.52572 2.56151 2.57954 2.61792 2.64074 2.68593 2.69844 2.73330 2.75507 2.81087 2.83184 3.03536 3.08613 3.08995 3.10036 3.11358 3.11924 3.12742 3.13442 3.15819 3.16167 3.21079 3.26443 3.27556 3.28447 3.29576 3.29941 3.32719 3.42740 3.62050 3.62836 3.67465 3.70360 3.73342 3.74866 3.77907 3.79824 3.81281 3.82182 3.82604 3.84285 3.85696 3.86546 3.88135 3.88373 3.89858 3.90350 3.91650 3.97707 3.99193 4.09298 4.25800 4.27039 4.36727 4.64095 4.65766 4.94740 4.96394 4.98156 4.99930 5.01826 5.08322 5.33681 5.36406 5.37878 5.39608 5.44651 5.49793 5.56565 5.61622 5.63565 5.64514 5.67073 5.73176 6.32232 6.33220 6.35778 6.39069 6.41387 6.44615 6.47731 6.58006 6.62718 14.55371 49.84877 49.86062 49.89035 49.90363 49.90688 49.94045 66.83416 66.84203 66.85782 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 B F F F O H H H H H O H O H H H O H O H O H 0.927004 -0.243949 -0.433027 -0.462778 -0.860753 0.514933 0.510717 0.411638 0.310841 0.382078 -0.629730 0.366478 -0.539074 0.274243 0.272523 0.280417 -0.755769 0.430122 -0.635881 0.267135 -0.663184 0.276015 0.00000 -6.7449 -1.5592 0.7111 6.9592 -59.8688 -57.4875 -60.1910 2.6457 -1.9684 -7.5128 -0.6864 1.6949 -1.0086 2.6457 -1.9684 -7.5128 -94.3847 -8.1943 3.3713 -15.0100 -10.2115 4.4673 9.0334 -6.3487 2.5176 -0.5470 -1090.4095 -792.0308 -423.6638 -10.9655 -34.7268 30.9867 -77.8342 8.0439 -50.8279 -263.0699 -308.0074 -188.6215 18.1038 -19.1906 2.5910 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS27 LAMSABHI 12-Oct-2022 0 Wavefunction 6Agua-BF3 CONF19 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-783.5496901 RMSD=2.659e-09 Dipole=-2.5449079,-0.7045883,0.7235271 Quadrupole=-1.0302901,-2.3991284,3.4294185,1.006044,-1.2267439,-5.1584042 PG=C01 [X(B1F3H12O6)] 0 1.7381310177 0.163562924 -0.2176395397 0 2.968157691 0.7226755857 -0.395010526 0 1.100293355 -0.1213276936 -1.4426940592 0 1.765818571 -0.9912638567 0.5930580875 0 0.8341048864 1.1653912326 0.5287355529 0 0.2192815042 1.6873057199 -0.0904861006 0 0.281430612 0.7522140388 1.256486517 0 -1.64943766 1.8266098912 -0.993305105 0 -2.8887103815 -2.1872396158 0.9153961316 0 -2.8456661228 -0.0253646755 -0.2086424804 0 -0.7056014252 0.0743789044 2.3478314643 0 -1.3168111555 -0.551292499 1.9063060189 0 -0.215679639 -2.4918767307 -0.6567900367 0 -0.0339016969 -1.9300293429 -1.4235311953 0 -0.2207486294 -0.4317911089 3.0077140528 0 0.5580209216 -2.3135749277 -0.0964636232 0 -2.2523646933 -1.5015125593 0.6885931958 0 -1.5335299231 -1.9407556657 0.1477470694 0 -0.8093552225 2.3362786309 -1.0644054551 0 -0.5057576568 2.2322417411 -1.9726930501 0 -3.0182332443 0.8054278765 -0.6954211516 0 -3.8079909845 1.1939273543 -0.3081129432 Gaussian 16 12-Oct-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 60 C1[X(BF3H12O6)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=checkguess=read td=(singlets,nstates=20) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7381,.1636,-.2176;2.9682,.7227,-.395;1.1003,-.1213,-1.4427;1.7658,-.9913,.5931;.8341,1.1654,.5287;.2193,1.6873,-.0905;.2814,.7522,1.2565;-1.6494,1.8266,-.9933;-2.8887,-2.1872,.9154;-2.8457,-.0254,-.2086;-.7056,.0744,2.3478;-1.3168,-.5513,1.9063;-.2157,-2.4919,-.6568;-.0339,-1.93,-1.4235;-.2207,-.4318,3.0077;.558,-2.3136,-.0965;-2.2524,-1.5015,.6886;-1.5335,-1.9408,.1477;-.8094,2.3363,-1.0644;-.5058,2.2322,-1.9727;-3.0182,.8054,-.6954;-3.808,1.1939,-.3081; oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/gas/CONF #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=20/1 9/41=20,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum 6Agua-BF3 CONF19 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 11 19 19 19 16 1 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 3 1 1 1 0 1 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 302 A 292 A 292 456 302 46 46 682.4862398306 22 22 22 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0218804242 0.000000 1.362730 0.000000 1.410233 2.301934 0.000000 1.411248 2.315057 2.311709 0.000000 1.542076 2.367168 2.369185 2.350189 0.000000 2.155195 2.929090 2.424006 3.167609 1.016778 0.000000 2.154422 3.153858 2.952827 2.383959 1.002889 1.640913 0.000000 3.852662 4.785271 3.399622 4.703290 2.986938 2.080048 3.153433 0.000000 5.312034 6.669908 5.073533 4.816524 5.024838 5.067891 4.336649 4.614101 0.000000 4.587698 5.864712 4.135540 4.779276 3.937301 3.512991 3.539769 2.340185 2.437010 0.000000 3.544210 4.630332 4.203289 3.212902 2.621090 3.066323 1.620101 3.889002 3.454382 3.335474 0.000000 3.788777 5.027923 4.152477 3.379468 3.077522 3.370175 2.162353 3.764679 2.475700 2.662143 0.979789 0.000000 3.325897 4.531964 2.822930 2.782138 3.985364 4.239747 3.798930 4.562700 3.116034 3.633366 3.981638 3.398208 0.000000 2.996232 4.136068 2.134986 2.861277 3.761171 3.863447 3.804781 4.111860 3.699550 3.606899 4.323426 3.825518 0.967785 0.000000 3.820283 4.804212 4.652706 3.176480 3.131939 3.779291 2.172752 4.811412 3.818038 4.171370 0.962671 1.558439 4.203875 4.681406 0.000000 2.746553 3.888021 2.629134 1.919042 3.545462 4.015199 3.362445 4.776853 3.594409 4.102874 3.643301 3.260632 0.971787 1.502860 3.712615 0.000000 4.417894 5.777116 4.205664 4.051577 4.082184 4.109083 3.438300 3.777394 0.962599 1.826486 2.762061 1.805825 2.634191 3.092939 3.263447 3.028866 0.000000 3.907100 5.258673 3.574471 3.462013 3.924155 4.036327 3.431541 3.938080 1.576881 2.348923 3.096224 2.251689 1.639434 2.172076 3.489954 2.138508 1.001086 0.000000 3.453606 4.161900 3.135233 4.522305 2.570999 1.558133 3.014235 0.985168 5.357756 3.233613 4.095158 4.173812 4.881566 4.351055 4.958914 4.942445 4.459139 4.504083 0.000000 3.520608 4.103165 2.898204 4.704692 3.031591 2.089340 3.638372 1.559404 5.792352 3.699166 4.833554 4.842779 4.912539 4.224775 5.655330 5.031532 4.906526 4.792337 0.963318 0.000000 4.823201 5.994495 4.287138 5.270240 4.058158 3.409568 3.834131 1.733537 3.401113 0.978238 3.891540 3.391830 4.327588 4.113284 4.803107 4.782941 2.797146 3.233698 2.712710 3.159075 0.000000 5.641747 6.793071 5.206575 6.054298 4.717010 4.063214 4.400733 2.351410 3.711380 1.556482 4.234649 3.762369 5.158627 5.024641 5.148396 5.604411 3.267842 3.899643 3.296780 3.841050 0.961591 0.000000 BF3H12O6 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 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7791,.0354,-.0272;3.0641,.4773,.0749;1.2387,.2591,-1.3105;1.6293,-1.3215,.3306;.898,.8197,.966;.3925,1.5877,.5319;.2448,.2495,1.47;-1.3626,2.2381,-.3756;-3.1206,-2.0164,-.0618;-2.7838,.379,-.3578;-.8967,-.6418,2.196;-1.5148,-1.0059,1.5287;-.3462,-2.0708,-1.4793;-.0442,-1.3062,-1.9901;-.5226,-1.3941,2.666;.383,-2.1833,-.8469;-2.4086,-1.3717,.0028;-1.6822,-1.6797,-.6133;-.4786,2.6422,-.2145;-.0999,2.8195,-1.0823;-2.8367,1.3398,-.5341;-3.6232,1.6608,-.0836; 0.9795579 0.6586615 0.5542400 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. One-electron integral symmetry used in STVInt NBasis= 292 RedAO= T EigKep= 2.04D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 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= 302 302 302 302 302 MxSgAt= 22 MxSgA2= 22. 1 Closed 1 1 1 -783.549690130745 -783.549690131 1 7.811744619705e+02 -3.224285509928e+03 9.770969984203e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1887248410 LenY= 1887156765 Requested convergence on RMS density matrix=1.00D-08 within 128 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. 1 Singlet-A 7.7853 159.26 0.0175 0.000 44 47 0.43515 45 47 -0.33640 46 47 0.39444 46 48 0.10046 -783.263587233 2 Singlet-A 7.8263 158.42 0.0709 0.000 44 47 0.14678 45 47 0.59144 45 50 -0.11145 46 47 0.32682 3 Singlet-A 7.8877 157.19 0.0163 0.000 44 47 0.48923 45 47 0.12914 46 47 -0.44560 46 48 -0.12000 4 Singlet-A 7.9712 155.54 0.0407 0.000 43 47 0.66960 43 48 -0.11840 5 Singlet-A 8.2012 151.18 0.0712 0.000 40 47 0.32541 41 47 0.27406 42 47 0.52647 6 Singlet-A 8.4923 146.00 0.0391 0.000 40 47 0.43731 41 47 0.27491 42 47 -0.40821 43 47 -0.12226 46 48 -0.13254 7 Singlet-A 8.5877 144.37 0.0023 0.000 40 47 -0.39232 41 47 0.57029 8 Singlet-A 8.6899 142.68 0.0118 0.000 40 47 0.11896 46 47 -0.17664 46 48 0.58901 46 49 0.23025 9 Singlet-A 8.8403 140.25 0.0152 0.000 44 47 -0.18618 44 48 0.49275 44 49 -0.13317 44 50 0.22892 44 51 -0.18270 45 48 -0.17879 46 49 -0.15411 46 50 0.11883 46 51 -0.10994 10 Singlet-A 8.9263 138.90 0.0022 0.000 37 47 0.18363 39 47 0.60375 45 48 0.11849 45 49 0.16284 45 50 -0.12135 11 Singlet-A 8.9694 138.23 0.0075 0.000 39 47 0.12703 43 47 0.11058 43 48 0.41242 43 49 -0.24326 43 50 -0.10774 45 48 -0.39287 12 Singlet-A 8.9929 137.87 0.0014 0.000 39 47 -0.14331 43 48 0.29839 43 49 -0.17244 44 48 0.12797 45 48 0.46893 45 49 0.20901 45 50 -0.17010 13 Singlet-A 9.0615 136.83 0.0005 0.000 38 47 0.22819 39 47 -0.21323 43 48 -0.11743 44 48 -0.23417 44 49 -0.14144 45 48 -0.19555 45 49 0.38293 45 50 -0.28084 45 51 -0.10244 14 Singlet-A 9.0757 136.61 0.0119 0.000 38 47 -0.31928 44 48 0.22368 44 49 0.32102 45 48 -0.12021 45 49 0.18613 45 50 -0.21221 45 51 -0.11770 46 49 0.27248 15 Singlet-A 9.0945 136.33 0.0023 0.000 38 47 0.53017 44 48 0.20883 44 49 0.14683 45 49 -0.15151 46 49 0.30266 16 Singlet-A 9.1482 135.53 0.0083 0.000 38 47 -0.13368 44 49 -0.38849 44 50 0.15618 44 51 -0.10233 45 50 0.10507 46 48 -0.22954 46 49 0.42980 17 Singlet-A 9.1795 135.07 0.0210 0.000 44 49 0.15583 45 49 0.42858 45 50 0.49406 18 Singlet-A 9.2800 133.60 0.0064 0.000 36 47 0.11566 37 47 -0.15277 40 48 -0.12302 42 47 -0.10316 42 49 -0.19263 42 51 0.11201 43 48 0.33608 43 49 0.40077 43 50 0.11535 44 50 0.12551 19 Singlet-A 9.2997 133.32 0.0199 0.000 37 47 0.58680 39 47 -0.16632 42 48 0.12858 43 48 0.10991 43 49 0.22599 20 Singlet-A 9.3358 132.81 0.0002 0.000 37 47 0.10586 43 49 -0.14263 44 48 -0.11225 44 49 0.11563 45 50 -0.11893 46 49 0.11973 46 50 0.61945 PT5807.300S Wed Oct 12 22:49:33 2022 -24.65090 -24.64580 -24.63115 -19.17555 -19.16889 -19.16162 -19.15408 -19.15096 -19.15001 -6.86646 -1.20309 -1.16157 -1.15416 -1.07729 -1.06265 -1.04975 -1.04457 -1.03664 -1.03224 -0.59723 -0.59083 -0.58648 -0.57192 -0.56784 -0.56380 -0.55398 -0.53000 -0.50273 -0.49762 -0.46853 -0.45463 -0.44151 -0.43262 -0.42265 -0.41104 -0.40310 -0.39859 -0.38971 -0.38313 -0.36940 -0.36750 -0.36633 -0.35521 -0.35042 -0.34617 -0.34480 -0.02756 0.00907 0.01598 0.02310 0.04014 0.05403 0.07541 0.08285 0.09907 0.10153 0.10862 0.11593 0.12274 0.12625 0.13948 0.14740 0.15622 0.16080 0.17070 0.17525 0.18533 0.18792 0.19529 0.20561 0.21220 0.21997 0.22597 0.23248 0.23593 0.24684 0.25139 0.25690 0.26161 0.26667 0.27228 0.28263 0.29463 0.29841 0.30281 0.30728 0.32439 0.33000 0.33563 0.34227 0.35605 0.36780 0.37045 0.38070 0.38902 0.40725 0.41123 0.43138 0.44142 0.46632 0.48255 0.48623 0.49859 0.51421 0.52291 0.53713 0.55176 0.55937 0.56485 0.57241 0.58332 0.59170 0.61229 0.61477 0.62882 0.64510 0.66919 0.77931 0.89445 0.90940 0.92766 0.94582 0.95625 0.96594 0.99396 1.00041 1.00977 1.01802 1.02898 1.04198 1.04606 1.05464 1.06045 1.06787 1.08361 1.10250 1.11778 1.14867 1.23539 1.24331 1.25429 1.27300 1.28466 1.28802 1.29682 1.30139 1.30386 1.32673 1.33813 1.34856 1.37514 1.37741 1.38512 1.39148 1.41066 1.41950 1.42739 1.43491 1.44949 1.46190 1.46758 1.47744 1.49680 1.51168 1.53543 1.54454 1.56951 1.58802 1.60813 1.61944 1.63293 1.64429 1.67046 1.70471 1.72547 1.76987 1.78623 1.80823 1.83357 1.97840 1.98796 1.99868 2.00362 2.00673 2.02030 2.03493 2.06254 2.14179 2.20477 2.22144 2.24852 2.25981 2.29259 2.29578 2.32548 2.34624 2.36910 2.40863 2.47275 2.52572 2.56151 2.57954 2.61792 2.64074 2.68593 2.69844 2.73330 2.75507 2.81087 2.83184 3.03536 3.08613 3.08995 3.10036 3.11358 3.11924 3.12742 3.13442 3.15819 3.16167 3.21079 3.26443 3.27556 3.28447 3.29576 3.29941 3.32719 3.42740 3.62050 3.62836 3.67465 3.70360 3.73342 3.74866 3.77907 3.79824 3.81281 3.82182 3.82604 3.84285 3.85696 3.86546 3.88135 3.88373 3.89858 3.90350 3.91650 3.97707 3.99193 4.09298 4.25800 4.27039 4.36727 4.64095 4.65766 4.94740 4.96394 4.98156 4.99930 5.01826 5.08322 5.33681 5.36406 5.37878 5.39608 5.44651 5.49793 5.56565 5.61622 5.63565 5.64514 5.67073 5.73176 6.32232 6.33220 6.35778 6.39069 6.41387 6.44615 6.47731 6.58006 6.62718 14.55371 49.84877 49.86062 49.89035 49.90363 49.90688 49.94045 66.83416 66.84203 66.85782 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 B F F F O H H H H H O H O H H H O H O H O H 0.927004 -0.243949 -0.433027 -0.462778 -0.860753 0.514933 0.510717 0.411638 0.310841 0.382078 -0.629730 0.366478 -0.539074 0.274243 0.272523 0.280417 -0.755769 0.430122 -0.635881 0.267135 -0.663184 0.276015 -0.00000 -6.7449 -1.5592 0.7111 6.9592 -59.8688 -57.4875 -60.1910 2.6457 -1.9684 -7.5128 -0.6864 1.6949 -1.0086 2.6457 -1.9684 -7.5128 -94.3847 -8.1943 3.3713 -15.0100 -10.2115 4.4673 9.0334 -6.3487 2.5176 -0.5470 -1090.4095 -792.0308 -423.6638 -10.9655 -34.7268 30.9867 -77.8342 8.0439 -50.8279 -263.0699 -308.0074 -188.6215 18.1038 -19.1906 2.5910 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS27 LAMSABHI 12-Oct-2022 0 Electronic spectrum 6Agua-BF3 CONF19 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-783.5496901 RMSD=2.659e-09 PG=C01 [X(B1F3H12O6)] 0 1.7381310177 0.163562924 -0.2176395397 0 2.968157691 0.7226755857 -0.395010526 0 1.100293355 -0.1213276936 -1.4426940592 0 1.765818571 -0.9912638567 0.5930580875 0 0.8341048864 1.1653912326 0.5287355529 0 0.2192815042 1.6873057199 -0.0904861006 0 0.281430612 0.7522140388 1.256486517 0 -1.64943766 1.8266098912 -0.993305105 0 -2.8887103815 -2.1872396158 0.9153961316 0 -2.8456661228 -0.0253646755 -0.2086424804 0 -0.7056014252 0.0743789044 2.3478314643 0 -1.3168111555 -0.551292499 1.9063060189 0 -0.215679639 -2.4918767307 -0.6567900367 0 -0.0339016969 -1.9300293429 -1.4235311953 0 -0.2207486294 -0.4317911089 3.0077140528 0 0.5580209216 -2.3135749277 -0.0964636232 0 -2.2523646933 -1.5015125593 0.6885931958 0 -1.5335299231 -1.9407556657 0.1477470694 0 -0.8093552225 2.3362786309 -1.0644054551 0 -0.5057576568 2.2322417411 -1.9726930501 0 -3.0182332443 0.8054278765 -0.6954211516 0 -3.8079909845 1.1939273543 -0.3081129432 Gaussian 16 12-Oct-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 60 C1[X(BF3H12O6)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=checkguess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7381,.1636,-.2176;2.9682,.7227,-.395;1.1003,-.1213,-1.4427;1.7658,-.9913,.5931;.8341,1.1654,.5287;.2193,1.6873,-.0905;.2814,.7522,1.2565;-1.6494,1.8266,-.9933;-2.8887,-2.1872,.9154;-2.8457,-.0254,-.2086;-.7056,.0744,2.3478;-1.3168,-.5513,1.9063;-.2157,-2.4919,-.6568;-.0339,-1.93,-1.4235;-.2207,-.4318,3.0077;.558,-2.3136,-.0965;-2.2524,-1.5015,.6886;-1.5335,-1.9408,.1477;-.8094,2.3363,-1.0644;-.5058,2.2322,-1.9727;-3.0182,.8054,-.6954;-3.808,1.1939,-.3081; oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/gas/CONF #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=re 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 6Agua-BF3 CONF19 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 11 19 19 19 16 1 1 1 1 1 16 1 16 1 1 1 16 1 16 1 16 1 11.0093053 18.9984033 18.9984033 18.9984033 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 3 1 1 1 0 1 1 1 1 1 0 1 0 1 1 1 0 1 0 1 0 1 2.7500000 6.7500000 6.7500000 6.7500000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 558 A 498 A 498 712 558 46 46 682.4862398306 22 22 22 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0218804242 0.000000 1.362730 0.000000 1.410233 2.301934 0.000000 1.411248 2.315057 2.311709 0.000000 1.542076 2.367168 2.369185 2.350189 0.000000 2.155195 2.929090 2.424006 3.167609 1.016778 0.000000 2.154422 3.153858 2.952827 2.383959 1.002889 1.640913 0.000000 3.852662 4.785271 3.399622 4.703290 2.986938 2.080048 3.153433 0.000000 5.312034 6.669908 5.073533 4.816524 5.024838 5.067891 4.336649 4.614101 0.000000 4.587698 5.864712 4.135540 4.779276 3.937301 3.512991 3.539769 2.340185 2.437010 0.000000 3.544210 4.630332 4.203289 3.212902 2.621090 3.066323 1.620101 3.889002 3.454382 3.335474 0.000000 3.788777 5.027923 4.152477 3.379468 3.077522 3.370175 2.162353 3.764679 2.475700 2.662143 0.979789 0.000000 3.325897 4.531964 2.822930 2.782138 3.985364 4.239747 3.798930 4.562700 3.116034 3.633366 3.981638 3.398208 0.000000 2.996232 4.136068 2.134986 2.861277 3.761171 3.863447 3.804781 4.111860 3.699550 3.606899 4.323426 3.825518 0.967785 0.000000 3.820283 4.804212 4.652706 3.176480 3.131939 3.779291 2.172752 4.811412 3.818038 4.171370 0.962671 1.558439 4.203875 4.681406 0.000000 2.746553 3.888021 2.629134 1.919042 3.545462 4.015199 3.362445 4.776853 3.594409 4.102874 3.643301 3.260632 0.971787 1.502860 3.712615 0.000000 4.417894 5.777116 4.205664 4.051577 4.082184 4.109083 3.438300 3.777394 0.962599 1.826486 2.762061 1.805825 2.634191 3.092939 3.263447 3.028866 0.000000 3.907100 5.258673 3.574471 3.462013 3.924155 4.036327 3.431541 3.938080 1.576881 2.348923 3.096224 2.251689 1.639434 2.172076 3.489954 2.138508 1.001086 0.000000 3.453606 4.161900 3.135233 4.522305 2.570999 1.558133 3.014235 0.985168 5.357756 3.233613 4.095158 4.173812 4.881566 4.351055 4.958914 4.942445 4.459139 4.504083 0.000000 3.520608 4.103165 2.898204 4.704692 3.031591 2.089340 3.638372 1.559404 5.792352 3.699166 4.833554 4.842779 4.912539 4.224775 5.655330 5.031532 4.906526 4.792337 0.963318 0.000000 4.823201 5.994495 4.287138 5.270240 4.058158 3.409568 3.834131 1.733537 3.401113 0.978238 3.891540 3.391830 4.327588 4.113284 4.803107 4.782941 2.797146 3.233698 2.712710 3.159075 0.000000 5.641747 6.793071 5.206575 6.054298 4.717010 4.063214 4.400733 2.351410 3.711380 1.556482 4.234649 3.762369 5.158627 5.024641 5.148396 5.604411 3.267842 3.899643 3.296780 3.841050 0.961591 0.000000 BF3H12O6 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 0 163.80260959999998 AuxInfo=1/0/N:1;2;3;4;5;11;13;17;19;21;6;7;8;9;10;12;14;15;16;18;20;22/rA:22nB0F0F0F0O0H0H0H0H0H0O0H0O0H0H0H0O0H0O0H0O0H0/rB:;;;;;;;;;;;;;;;;;;;;;/rC:1.7791,.0354,-.0272;3.0641,.4773,.0749;1.2387,.2591,-1.3105;1.6293,-1.3215,.3306;.898,.8197,.966;.3925,1.5877,.5319;.2448,.2495,1.47;-1.3626,2.2381,-.3756;-3.1206,-2.0164,-.0618;-2.7838,.379,-.3578;-.8967,-.6418,2.196;-1.5148,-1.0059,1.5287;-.3462,-2.0708,-1.4793;-.0442,-1.3062,-1.9901;-.5226,-1.3941,2.666;.383,-2.1833,-.8469;-2.4086,-1.3717,.0028;-1.6822,-1.6797,-.6133;-.4786,2.6422,-.2145;-.0999,2.8195,-1.0823;-2.8367,1.3398,-.5341;-3.6232,1.6608,-.0836; 0.9795579 0.6586615 0.5542400 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. One-electron integral symmetry used in STVInt NBasis= 498 RedAO= T EigKep= 4.86D-05 NBF= 498 NBsUse= 498 1.00D-06 EigRej= -1.00D+00 NBFU= 498 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= 558 558 558 558 558 MxSgAt= 22 MxSgA2= 22. 1 Closed 1 1 1 -783.554593628135 -783.591265344866 -0.036671716731 -783.591457487759 -0.000192142892 -783.591733229300 -0.000275741541 -783.591749243870 -0.000016014570 -783.591750294405 -0.000001050535 -783.591750395779 -0.000000101374 -783.591750407068 -0.000000011289 -783.591750407152 -0.000000000085 -783.591750407255 -0.000000000103 -783.591750407 10 7.810533498672e+02 -3.224491634564e+03 9.773821748837e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1886804258 LenY= 1886492336 Requested convergence on RMS density matrix=1.00D-08 within 128 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. PT2550.200S Wed Oct 12 22:54:52 2022 -24.64737 -24.64212 -24.62912 -19.17257 -19.16628 -19.15998 -19.15307 -19.14941 -19.14881 -6.85483 -1.19773 -1.15677 -1.15008 -1.07388 -1.05940 -1.04733 -1.04176 -1.03344 -1.02996 -0.59369 -0.58638 -0.58317 -0.56890 -0.56548 -0.56187 -0.55054 -0.52568 -0.49892 -0.49341 -0.46646 -0.45338 -0.43977 -0.43087 -0.42136 -0.40870 -0.40220 -0.39644 -0.38751 -0.38168 -0.36775 -0.36600 -0.36468 -0.35427 -0.34996 -0.34490 -0.34448 -0.02705 0.00888 0.01552 0.02285 0.03962 0.05294 0.07411 0.08133 0.09735 0.10078 0.10826 0.11513 0.12096 0.12484 0.13813 0.14621 0.15326 0.15875 0.16866 0.17107 0.18001 0.18527 0.18911 0.20214 0.20643 0.21193 0.22390 0.22837 0.23462 0.23722 0.24823 0.25168 0.25680 0.26263 0.26634 0.27227 0.28415 0.29123 0.29403 0.30120 0.31469 0.31895 0.32296 0.32905 0.34911 0.35560 0.36545 0.36835 0.37652 0.38930 0.40276 0.41971 0.42050 0.43106 0.43931 0.44959 0.45948 0.46492 0.47384 0.48159 0.49510 0.49840 0.50682 0.51719 0.52472 0.54027 0.55306 0.56369 0.56759 0.57264 0.58273 0.58780 0.60634 0.61626 0.63717 0.63764 0.64495 0.65516 0.67361 0.68965 0.70193 0.71773 0.73808 0.75004 0.76492 0.78589 0.78850 0.79991 0.81837 0.82539 0.83622 0.85210 0.86245 0.86778 0.87661 0.88657 0.89284 0.90328 0.91996 0.93760 0.95057 0.95960 0.96741 0.97512 0.98123 0.98831 0.99672 1.01238 1.02628 1.03000 1.03808 1.04087 1.05552 1.06300 1.06948 1.08426 1.09188 1.10124 1.10528 1.11990 1.12872 1.14115 1.15163 1.17085 1.17172 1.18623 1.19962 1.21053 1.21960 1.22949 1.24697 1.25119 1.25955 1.27434 1.28396 1.28620 1.29211 1.30583 1.31881 1.32073 1.33353 1.34481 1.34686 1.36244 1.37091 1.37164 1.38804 1.40238 1.40659 1.41581 1.44076 1.45252 1.46013 1.47493 1.49018 1.49833 1.50685 1.51822 1.52601 1.53149 1.54855 1.55534 1.57200 1.57962 1.59323 1.60218 1.61771 1.62925 1.65822 1.66570 1.68246 1.68537 1.70408 1.70697 1.75641 1.76334 1.78559 1.80928 1.82088 1.85770 1.86498 1.88762 1.95472 1.97522 1.99689 2.01115 2.06581 2.08129 2.09440 2.11461 2.15046 2.16211 2.21389 2.23526 2.24695 2.26241 2.29447 2.30918 2.40689 2.50910 2.55265 2.56261 2.57157 2.66409 2.67195 2.70423 2.72444 2.72931 2.73506 2.76637 2.77890 2.80016 2.81393 2.86204 2.86524 2.94724 2.95472 2.99119 3.09916 3.11294 3.12436 3.13654 3.16200 3.16913 3.20807 3.24360 3.28020 3.29293 3.29577 3.32376 3.33417 3.35574 3.36895 3.37041 3.38662 3.39246 3.40311 3.42189 3.43201 3.45491 3.46614 3.47254 3.49088 3.49447 3.51303 3.53421 3.57181 3.60936 3.63745 3.64474 3.73763 3.76450 3.76743 3.79076 3.83166 3.84637 3.97608 3.99528 4.00871 4.02228 4.06925 4.08198 4.12161 4.13608 4.14362 4.17837 4.19475 4.21659 4.21927 4.27055 4.30027 4.30897 4.34183 4.36103 4.38415 4.58154 4.60271 4.61091 4.62140 4.62996 4.63631 4.65937 4.67193 4.68192 4.70657 4.72219 4.73555 4.74296 4.76479 4.78759 4.78960 4.80964 4.81777 4.83585 4.84313 4.86354 4.87890 4.90535 4.91829 4.96003 4.96843 4.98233 5.01148 5.04645 5.07055 5.08679 5.08915 5.12425 5.12815 5.13680 5.16653 5.17085 5.18799 5.20502 5.22204 5.22784 5.23806 5.25062 5.26731 5.27761 5.29054 5.30218 5.32582 5.33692 5.36935 5.37332 5.40152 5.40643 5.42624 5.44590 5.47121 5.48237 5.49591 5.51477 5.53039 5.55638 5.56148 5.56522 5.58150 5.58675 5.59645 5.61244 5.66329 5.67126 5.68266 5.70544 5.72289 5.75468 5.76222 5.78260 5.82657 5.85556 5.87555 5.92170 6.09784 6.38588 6.46446 6.49774 6.50373 6.53941 6.56774 6.65411 6.65562 6.66202 6.66545 6.68392 6.72334 6.73900 6.75458 6.77218 6.82188 6.88306 6.89154 6.89910 6.93683 6.94061 6.96635 6.97495 6.97645 6.97765 6.99821 7.01345 7.02144 7.04937 7.05084 7.09494 7.14358 7.17053 7.25530 7.33497 7.35784 7.43276 7.47137 7.48898 7.63242 7.99837 8.03015 14.34215 14.35571 14.37384 14.37942 14.38444 14.39333 14.40242 14.40438 14.40985 14.41468 14.41856 14.43240 14.43703 14.44808 14.45580 14.48393 14.49897 14.56965 14.63154 14.64200 14.64665 14.65967 14.67201 14.78210 14.95552 15.00247 15.03264 15.03502 15.04958 15.08334 15.99827 19.33792 19.35583 19.36158 19.36851 19.38998 19.39180 19.41358 19.43124 19.44532 19.47608 19.48803 19.51953 19.59922 19.60970 19.62366 49.97263 49.98947 50.00593 50.01815 50.05256 50.10140 66.99778 67.07043 67.09822 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 B F F F O H H H H H O H O H H H O H O H O H 1.018703 -0.398341 -0.359327 -0.350867 -1.013999 0.591687 0.563355 0.472453 0.271574 0.405041 -0.649892 0.393820 -0.605033 0.281887 0.232915 0.297346 -0.771347 0.508174 -0.709880 0.244135 -0.658261 0.235860 -0.00000 -6.6086 -1.3984 0.7349 6.7948 -59.6403 -56.8102 -59.5385 2.4934 -1.7993 -7.0996 -0.9773 1.8528 -0.8755 2.4934 -1.7993 -7.0996 -91.6178 -7.2548 3.5323 -14.7431 -9.8601 4.3015 8.6723 -6.0527 2.2582 -0.7406 -1090.5906 -783.1856 -419.9379 -11.5710 -33.6118 29.9670 -73.1261 7.8619 -48.8772 -262.5813 -305.8795 -187.3742 17.2433 -17.8396 2.2617 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS27 LAMSABHI 12-Oct-2022 0 Single Point 6Agua-BF3 CONF19 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-783.5917504 RMSD=2.826e-09 Dipole=-2.4983761,-0.6376427,0.7056318 Quadrupole=-1.204789,-2.0974468,3.3022357,0.9223006,-1.0823886,-4.9103891 PG=C01 [X(B1F3H12O6)] 0 1.7381310177 0.163562924 -0.2176395397 0 2.968157691 0.7226755857 -0.395010526 0 1.100293355 -0.1213276936 -1.4426940592 0 1.765818571 -0.9912638567 0.5930580875 0 0.8341048864 1.1653912326 0.5287355529 0 0.2192815042 1.6873057199 -0.0904861006 0 0.281430612 0.7522140388 1.256486517 0 -1.64943766 1.8266098912 -0.993305105 0 -2.8887103815 -2.1872396158 0.9153961316 0 -2.8456661228 -0.0253646755 -0.2086424804 0 -0.7056014252 0.0743789044 2.3478314643 0 -1.3168111555 -0.551292499 1.9063060189 0 -0.215679639 -2.4918767307 -0.6567900367 0 -0.0339016969 -1.9300293429 -1.4235311953 0 -0.2207486294 -0.4317911089 3.0077140528 0 0.5580209216 -2.3135749277 -0.0964636232 0 -2.2523646933 -1.5015125593 0.6885931958 0 -1.5335299231 -1.9407556657 0.1477470694 0 -0.8093552225 2.3362786309 -1.0644054551 0 -0.5057576568 2.2322417411 -1.9726930501 0 -3.0182332443 0.8054278765 -0.6954211516 0 -3.8079909845 1.1939273543 -0.3081129432