Gaussian 16 GINC-EXP-13-50 CLIN7 Title Card Required ES64L-G16RevC.01 13-Feb-2026 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 27 27 38 38 235 (6D, 7F) 6-31G(d,p) 75 75 C1[X(C10H17)] C1[X(C10H17)] RmPW1PW91 6-31G(d,p) FTS # opt=(calcfc,ts,noeigen,maxstep=5,notrust) freq mpw1pw91/6-31g(d,p) 120.107 1 1 AuxInfo=1/0/N: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/rA:27nC0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1464,.3915,.1823;3.0991,-.1727,-.8825;2.3091,-.3755,1.5315;.7236,.2778,-.1714;-.183,1.4005,.0644;-1.6392,1.2004,-.3462;-2.1163,-.1957,-.0257;-1.2552,-1.2004,-.1931;-3.5263,-.3738,.4344;.1499,-.957,-.7055;2.9815,.338,-1.8398;2.9627,-1.2448,-1.0346;4.1238,-.0148,-.542;3.3433,-.2337,1.8513;2.1284,-1.4445,1.4106;1.6552,.0118,2.3145;.2716,2.3082,-.3596;-.0961,1.5793,1.1534;-1.7411,1.3837,-1.4236;-2.2576,1.9528,.1474;-1.5162,-2.2319,.0151;-3.7051,.1765,1.3638;-3.7692,-1.4233,.6017;-4.2253,.0249,-.3079;.1213,-.7541,-1.8001;.8163,-1.813,-.5917;2.3831,1.4432,.3706; g16 Output=/home/clin7/P02/QM/mono/D-J/CL_P02_mono_D-J.log nprocshared=32 mem=64GB chk=mono_D-J.chk # opt=(calcfc,ts,noeigen,maxstep=5,notrust) freq mpw1pw91/6-31g(d,p) 1/5=1,8=5,9=1,10=4,11=1,18=20,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,71=2,74=-7,140=1/1,2,3 4//1 5/5=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1,13=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,8=5,9=1,10=4,11=1,18=20,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/5=1,8=5,9=1,11=1,18=20,26=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 Title Card Required 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 R24 R25 R26 R27 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 2 3 4 27 11 12 13 14 15 16 5 10 6 17 18 7 19 20 8 9 10 21 22 23 24 25 26 1.5362 1.5605 1.4705 1.0943 1.0915 1.0914 1.0912 1.0917 1.0909 1.0911 1.4622 1.4626 1.5261 1.1001 1.107 1.5098 1.0977 1.0919 1.3337 1.4939 1.5153 1.0842 1.0948 1.0902 1.0948 1.1137 1.0908 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 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 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 2 2 2 3 3 4 1 1 1 11 11 12 1 1 1 14 14 15 1 1 5 4 4 4 6 6 17 5 5 5 7 7 19 6 6 8 7 7 10 7 7 7 22 22 23 4 4 4 8 8 25 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 3 4 27 4 27 27 11 12 13 12 13 13 14 15 16 15 16 16 5 10 10 6 17 18 17 18 18 7 19 20 19 20 20 8 9 9 10 21 21 22 23 24 23 24 24 8 25 26 25 26 26 110.7372 113.8921 109.7608 105.7159 107.5145 108.9661 111.6696 112.3273 108.2371 108.9055 107.8838 107.6399 106.7489 111.6203 112.548 108.4606 108.1441 109.1584 120.1219 122.1804 117.6392 116.5887 108.3698 103.5272 113.5055 111.1456 102.3204 111.4484 109.3107 109.1744 109.4807 111.2425 106.0249 117.7711 118.2834 123.9355 121.3366 122.49 116.1698 110.8376 111.8536 110.5133 108.4947 106.7597 108.2033 112.0797 102.4293 112.6333 109.7412 113.9054 105.1359 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|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 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 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 3 3 3 4 4 4 27 27 27 2 2 2 4 4 4 27 27 27 2 2 3 3 27 27 1 1 1 10 10 10 1 1 1 5 5 5 4 4 4 17 17 17 18 18 18 5 5 19 19 20 20 6 6 9 9 6 6 6 8 8 8 7 7 7 21 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 10 10 10 10 10 10 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 12 13 11 12 13 11 12 13 14 15 16 14 15 16 14 15 16 5 10 5 10 5 10 6 17 18 6 17 18 8 25 26 8 25 26 7 19 20 7 19 20 7 19 20 8 9 8 9 8 9 10 21 10 21 22 23 24 22 23 24 4 25 26 4 25 26 178.6872 55.9977 -62.7033 59.708 -62.9814 178.3175 -62.7615 174.5491 55.8481 60.656 -57.7022 179.1504 -175.5349 66.1068 -57.0405 -59.2495 -177.6077 59.2449 -136.6503 46.1979 101.5498 -75.602 -13.7455 169.1027 179.3772 49.8712 -58.2567 -3.3439 -132.8499 119.0222 143.211 -99.2303 13.2013 -34.0082 83.5506 -164.0179 39.3608 -81.7922 162.6423 166.3738 45.2208 -70.3447 -78.9363 159.9106 44.3452 -37.4467 143.6525 83.6071 -95.2936 -159.5419 21.5574 -0.8168 179.9031 178.0164 -1.2637 -60.8023 177.9763 57.3511 120.3701 -0.8514 -121.4765 37.9538 -75.1466 167.3042 -142.7228 104.1768 -13.3724 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|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 235 A 235 A 399 235 543.8945794912 27 1.00e+00 60 F Berny optimization. saddle point Step number 1 out of a maximum of 155 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.00137 0.00142 0.00164 0.00250 0.00260 0.00379 0.00954 0.01158 0.01490 0.01873 0.02393 0.02607 0.03336 0.03621 0.03949 0.04194 0.04462 0.04516 0.04627 0.04721 0.04764 0.04929 0.05081 0.05567 0.05795 0.06542 0.07640 0.07689 0.08314 0.09947 0.10201 0.10686 0.11415 0.11578 0.12077 0.12535 0.12889 0.13671 0.14557 0.14656 0.15170 0.15726 0.16811 0.17784 0.18063 0.19334 0.20370 0.20851 0.26060 0.26257 0.27607 0.28962 0.29645 0.30438 0.31155 0.32281 0.32627 0.33273 0.33691 0.33819 0.34215 0.34255 0.34921 0.35081 0.35090 0.35152 0.35190 0.35256 0.35440 0.35596 0.35619 0.35631 0.36774 0.37023 0.60084 1.720265315e-12 0.00000000e+00 Linear search 1 2 0.00003010 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 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 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 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 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 2.90293 2.94898 2.77878 2.06798 2.06257 2.06240 2.06212 2.06302 2.06147 2.06197 2.76310 2.76390 2.88389 2.07895 2.09198 2.85309 2.07428 2.06333 2.52042 2.82302 2.86347 2.04877 2.06880 2.06020 2.06886 2.10454 2.06123 1.93273 1.98779 1.91569 1.84509 1.87648 1.90182 1.94900 1.96048 1.88909 1.90076 1.88293 1.87867 1.86312 1.94814 1.96433 1.89300 1.88747 1.90517 2.09652 2.13245 2.05319 2.03486 1.89141 1.80689 1.98104 1.93986 1.78583 1.94514 1.90783 1.90545 1.91080 1.94155 1.85048 2.05549 2.06444 2.16308 2.11772 2.13785 2.02754 1.93448 1.95221 1.92882 1.89359 1.86331 1.88850 1.95616 1.78773 1.96582 1.91535 1.98802 1.83497 3.11868 0.97734 -1.09438 1.04210 -1.09923 3.11223 -1.09539 3.04646 0.97473 1.05865 -1.00709 3.12676 -3.06366 1.15378 -0.99554 -1.03410 -3.09984 1.03402 -2.38500 0.80631 1.77238 -1.31950 -0.23990 2.95140 3.13072 0.87042 -1.01677 -0.05836 -2.31867 2.07733 2.49950 -1.73190 0.23041 -0.59355 1.45823 -2.86265 0.68698 -1.42754 2.83864 2.90377 0.78925 -1.22775 -1.37770 2.79097 0.77397 -0.65357 2.50721 1.45922 -1.66319 -2.78453 0.37625 -0.01426 3.13990 3.10697 -0.02205 -1.06120 3.10627 1.00097 2.10085 -0.01486 -2.12017 0.66242 -1.31156 2.92001 -2.49098 1.81823 -0.23339 -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 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-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 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00004 0.00004 0.00004 0.00004 0.00004 0.00005 0.00004 0.00004 0.00004 -0.00003 -0.00002 -0.00003 -0.00002 -0.00002 -0.00002 0.00003 0.00004 0.00004 0.00002 0.00004 0.00003 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00004 -0.00003 -0.00003 -0.00006 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 0.00002 0.00003 0.00002 0.00003 0.00002 0.00003 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00003 -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 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -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 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 -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 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00004 0.00004 0.00004 0.00004 0.00004 0.00005 0.00004 0.00004 0.00004 -0.00003 -0.00002 -0.00003 -0.00002 -0.00002 -0.00002 0.00003 0.00004 0.00004 0.00002 0.00004 0.00003 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00004 -0.00003 -0.00003 -0.00006 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 0.00002 0.00003 0.00002 0.00003 0.00002 0.00003 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00003 2.90292 2.94898 2.77878 2.06798 2.06257 2.06240 2.06211 2.06302 2.06147 2.06197 2.76310 2.76390 2.88389 2.07895 2.09198 2.85309 2.07428 2.06333 2.52042 2.82302 2.86346 2.04877 2.06880 2.06020 2.06886 2.10454 2.06123 1.93273 1.98780 1.91569 1.84508 1.87648 1.90181 1.94900 1.96048 1.88910 1.90076 1.88293 1.87867 1.86312 1.94813 1.96434 1.89300 1.88747 1.90517 2.09652 2.13245 2.05320 2.03486 1.89140 1.80690 1.98104 1.93986 1.78583 1.94515 1.90783 1.90545 1.91079 1.94155 1.85048 2.05550 2.06443 2.16308 2.11773 2.13785 2.02754 1.93448 1.95221 1.92882 1.89359 1.86331 1.88851 1.95616 1.78773 1.96582 1.91535 1.98802 1.83496 3.11869 0.97736 -1.09437 1.04212 -1.09922 3.11224 -1.09538 3.04647 0.97474 1.05869 -1.00705 3.12681 -3.06362 1.15383 -0.99550 -1.03406 -3.09980 1.03406 -2.38503 0.80628 1.77235 -1.31953 -0.23993 2.95138 3.13075 0.87046 -1.01673 -0.05834 -2.31863 2.07736 2.49950 -1.73189 0.23041 -0.59355 1.45824 -2.86264 0.68694 -1.42758 2.83861 2.90372 0.78920 -1.22780 -1.37775 2.79092 0.77392 -0.65354 2.50724 1.45924 -1.66316 -2.78451 0.37627 -0.01425 3.13991 3.10697 -0.02205 -1.06121 3.10626 1.00096 2.10085 -0.01486 -2.12017 0.66240 -1.31158 2.91998 -2.49100 1.81820 -0.23342 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000000 0.000129 0.000030 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.434496e-11 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 R24 R25 R26 R27 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 2 3 4 27 11 12 13 14 15 16 5 10 6 17 18 7 19 20 8 9 10 21 22 23 24 25 26 1.5362 1.5605 1.4705 1.0943 1.0915 1.0914 1.0912 1.0917 1.0909 1.0911 1.4622 1.4626 1.5261 1.1001 1.107 1.5098 1.0977 1.0919 1.3337 1.4939 1.5153 1.0842 1.0948 1.0902 1.0948 1.1137 1.0908 -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 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 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 2 2 2 3 3 4 1 1 1 11 11 12 1 1 1 14 14 15 1 1 5 4 4 4 6 6 17 5 5 5 7 7 19 6 6 8 7 7 10 7 7 7 22 22 23 4 4 4 8 8 25 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 3 4 27 4 27 27 11 12 13 12 13 13 14 15 16 15 16 16 5 10 10 6 17 18 17 18 18 7 19 20 19 20 20 8 9 9 10 21 21 22 23 24 23 24 24 8 25 26 25 26 26 110.7372 113.8921 109.7608 105.7159 107.5145 108.9661 111.6696 112.3273 108.2371 108.9055 107.8838 107.6399 106.7489 111.6203 112.548 108.4606 108.1441 109.1584 120.1219 122.1804 117.6392 116.5887 108.3698 103.5272 113.5055 111.1456 102.3204 111.4484 109.3107 109.1744 109.4807 111.2425 106.0249 117.7711 118.2834 123.9355 121.3366 122.49 116.1698 110.8376 111.8536 110.5133 108.4947 106.7597 108.2033 112.0797 102.4293 112.6333 109.7412 113.9054 105.1359 -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|-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 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 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 3 3 3 4 4 4 27 27 27 2 2 2 4 4 4 27 27 27 2 2 3 3 27 27 1 1 1 10 10 10 1 1 1 5 5 5 4 4 4 17 17 17 18 18 18 5 5 19 19 20 20 6 6 9 9 6 6 6 8 8 8 7 7 7 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 10 10 10 10 10 10 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 11 12 13 11 12 13 11 12 13 14 15 16 14 15 16 14 15 16 5 10 5 10 5 10 6 17 18 6 17 18 8 25 26 8 25 26 7 19 20 7 19 20 7 19 20 8 9 8 9 8 9 10 21 10 21 22 23 24 22 23 24 4 25 26 4 25 178.6872 55.9977 -62.7033 59.708 -62.9814 178.3175 -62.7615 174.5491 55.8481 60.656 -57.7022 179.1504 -175.5349 66.1068 -57.0405 -59.2495 -177.6077 59.2449 -136.6503 46.1979 101.5498 -75.602 -13.7455 169.1027 179.3772 49.8712 -58.2567 -3.3439 -132.8499 119.0222 143.211 -99.2303 13.2013 -34.0082 83.5506 -164.0179 39.3608 -81.7922 162.6423 166.3738 45.2208 -70.3447 -78.9363 159.9106 44.3452 -37.4467 143.6525 83.6071 -95.2936 -159.5419 21.5574 -0.8168 179.9031 178.0164 -1.2637 -60.8023 177.9763 57.3511 120.3701 -0.8514 -121.4765 37.9538 -75.1466 167.3042 -142.7228 104.1768 -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|-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 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7.227213 8.059797 7.077128 6.054752 5.446505 4.829964 3.877793 3.617286 2.594312 3.522869 0.000000 6.201855 7.137231 6.237626 4.865856 4.595998 3.509870 2.152376 2.646016 1.090212 4.157546 7.391578 6.930196 8.098795 7.318699 5.952838 5.866645 5.583554 4.776148 4.011814 3.726883 2.464482 1.773211 0.000000 6.401018 7.349593 6.800195 4.957249 4.286133 2.841006 2.139271 3.214994 1.094795 4.501622 7.374510 7.335405 8.352458 7.874801 6.744054 6.438806 5.043632 4.647798 3.043470 2.792161 3.540723 1.757354 1.769986 0.000000 3.056703 3.169819 4.003753 2.020055 2.865561 3.005554 2.909806 2.162488 4.294497 1.113673 3.061956 2.983420 4.260231 4.897436 3.848857 4.457571 3.387595 3.770337 2.860141 4.096264 2.856601 5.051506 4.620817 4.661139 0.000000 2.688437 2.825937 2.966994 2.134669 3.428658 3.894893 3.396461 2.196670 4.688603 1.090758 3.297364 2.264038 3.764975 3.853285 2.422100 3.532694 4.163505 3.922441 4.177434 4.916954 2.446336 5.312779 4.754252 5.373681 1.750538 0.000000 1.094327 2.166581 2.158862 2.099005 2.584749 4.092908 4.804953 4.532538 6.182806 3.450510 2.542751 3.088014 2.447100 2.434338 3.079737 2.521343 2.395889 2.603442 4.497981 4.673972 5.370053 6.297454 6.791248 6.792911 3.828371 3.739435 0.000000 C10H17(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N: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/rA:27nC0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.124,.3911,.1737;3.0767,-.1731,-.891;2.2867,-.3759,1.523;.7012,.2775,-.1799;-.2054,1.4001,.0558;-1.6616,1.2,-.3547;-2.1387,-.1961,-.0342;-1.2776,-1.2008,-.2016;-3.5487,-.3741,.4259;.1275,-.9574,-.714;2.9591,.3377,-1.8484;2.9403,-1.2452,-1.0431;4.1014,-.0152,-.5506;3.3209,-.2341,1.8427;2.106,-1.4449,1.402;1.6328,.0115,2.3059;.2492,2.3078,-.3681;-.1185,1.5789,1.1448;-1.7635,1.3833,-1.4322;-2.28,1.9524,.1388;-1.5386,-2.2323,.0066;-3.7275,.1761,1.3553;-3.7916,-1.4237,.5931;-4.2477,.0245,-.3165;.0989,-.7545,-1.8087;.7939,-1.8133,-.6003;2.3607,1.4428,.3621; 2.8029098 0.7367202 0.7029782 14 -390.952348906 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111111 Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=418457805. There are 84 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 78 vectors produced by pass 0 Test12= 8.91D-15 1.19D-09 XBig12= 1.25D-01 1.61D-01. AX will form 78 AO Fock derivatives at one time. 78 vectors produced by pass 1 Test12= 8.91D-15 1.19D-09 XBig12= 9.24D-03 1.95D-02. 78 vectors produced by pass 2 Test12= 8.91D-15 1.19D-09 XBig12= 9.38D-05 1.66D-03. 78 vectors produced by pass 3 Test12= 8.91D-15 1.19D-09 XBig12= 2.83D-07 5.84D-05. 78 vectors produced by pass 4 Test12= 8.91D-15 1.19D-09 XBig12= 3.88D-10 1.97D-06. 48 vectors produced by pass 5 Test12= 8.91D-15 1.19D-09 XBig12= 3.40D-13 7.78D-08. 2 vectors produced by pass 6 Test12= 8.91D-15 1.19D-09 XBig12= 3.41D-16 2.27D-09. InvSVY: IOpt=1 It= 1 EMax= 3.33D-16 Solved reduced A of dimension 440 with 84 vectors. End of Minotr F.D. properties file 721 does not exist. PT1536.300S 2026-02-13T03:00:10.000 -10.53660 -10.44529 -10.44427 -10.44096 -10.41098 -10.40788 -10.40591 -10.39907 -10.39656 -10.36378 -1.08365 -1.00560 -0.95642 -0.94587 -0.87333 -0.85913 -0.82497 -0.79869 -0.74405 -0.68961 -0.66610 -0.66429 -0.64351 -0.61068 -0.60307 -0.59153 -0.58862 -0.58121 -0.56340 -0.55733 -0.54640 -0.53076 -0.52873 -0.52504 -0.51369 -0.50166 -0.48870 -0.39889 -0.27899 -0.12355 -0.07328 -0.04014 -0.03151 -0.02697 -0.01600 0.00324 0.01525 0.01689 0.02449 0.02806 0.03414 0.04025 0.04967 0.05684 0.05806 0.06636 0.06846 0.07362 0.08858 0.09697 0.10653 0.12464 0.13920 0.16346 0.18021 0.22832 0.29839 0.33650 0.34699 0.35964 0.36896 0.37968 0.38863 0.41689 0.42020 0.43168 0.44479 0.47043 0.48051 0.49165 0.50424 0.52368 0.53381 0.54691 0.56846 0.57809 0.58097 0.59683 0.62150 0.64303 0.65429 0.66103 0.67984 0.69721 0.70873 0.70963 0.72318 0.72958 0.74230 0.75053 0.75871 0.76143 0.77179 0.77798 0.78464 0.78767 0.80060 0.80586 0.81706 0.83635 0.85050 0.85392 0.86030 0.90943 0.95542 1.02886 1.03441 1.05990 1.10497 1.15268 1.20633 1.23282 1.26485 1.30582 1.32785 1.36590 1.37859 1.39745 1.45603 1.47914 1.49756 1.53734 1.54194 1.59188 1.60486 1.63327 1.63712 1.65590 1.66622 1.68516 1.70052 1.70995 1.71708 1.74441 1.77263 1.81846 1.82637 1.84565 1.85362 1.87329 1.89238 1.90208 1.91755 1.92677 1.93606 1.95203 1.95396 1.96815 1.97341 1.98697 2.00038 2.00305 2.00760 2.03013 2.06483 2.08105 2.10320 2.10917 2.14764 2.17207 2.19583 2.19901 2.21562 2.23236 2.23651 2.26809 2.30446 2.31018 2.32329 2.35671 2.39182 2.41676 2.43395 2.45982 2.47782 2.48454 2.49015 2.51773 2.54496 2.56410 2.57422 2.58877 2.59808 2.61270 2.64760 2.66912 2.68391 2.69683 2.73495 2.74836 2.75496 2.76313 2.77309 2.80135 2.82153 2.84568 2.89595 3.02354 3.05875 3.09256 3.10438 3.11598 3.11910 3.18158 3.20561 3.26400 3.29118 3.31687 3.33138 3.34307 3.35113 3.35254 3.37290 3.39304 3.46269 4.04244 4.09390 4.22791 4.26417 4.35575 4.39162 4.39702 4.50288 4.53722 4.66200 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 C C C C C C C C C C H H H H H H H H H H H H H H H H H -0.241797 -0.400609 -0.403203 0.281846 -0.347521 -0.323379 0.114499 -0.170252 -0.447373 -0.356460 0.174849 0.166713 0.195118 0.207128 0.177947 0.175032 0.233515 0.242479 0.194372 0.189176 0.178984 0.169660 0.170398 0.177734 0.245308 0.202320 0.193517 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 C C C C C C C C C C -0.048280 0.136071 0.156904 0.281846 0.128473 0.060169 0.114499 0.008732 0.070419 0.091168 1.00000 0.000 0.000 0.000 0.000 0.000 0.000 155.356 -14.773 146.823 -2.172 5.405 119.686 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.1972 1.2219 -0.1927 2.5215 -37.4211 -51.2984 -55.2622 -0.9185 0.2535 0.5692 10.5728 -3.3045 -7.2683 -0.9185 0.2535 0.5692 10.8055 1.5145 -0.0853 -1.8184 0.5571 7.1625 7.8197 2.9632 -0.0254 1.0346 -1484.1274 -324.7414 -261.4518 1.5823 1.7809 3.8287 -0.5182 4.9505 1.9718 -333.7686 -317.1205 -106.2365 -5.6074 -4.0942 -6.3240 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -390.9523489 9.147E-9 1.223E-6 7.8606092,-2.4568163,-5.4037929,-0.6828742,0.1884638,0.4231605 C01 [X(C10H17)] 0.8644618 0.4807225 -0.0758098 0.|0.|0.|0.|0.|0. 0.000001051 -0.000002170 0.000001278 0.000000347 0.000000133 0.000001338 -0.000000084 -0.000001279 0.000000215 -0.000001156 0.000001835 0.000000597 0.000001431 -0.000000575 0.000000456 0.000000046 0.000001121 0.000001143 -0.000000797 0.000001419 -0.000001257 0.000001529 0.000000176 -0.000002116 0.000000384 0.000001195 -0.000002015 -0.000001232 0.000001144 -0.000000139 0.000000894 0.000000481 0.000001514 -0.000000411 -0.000000446 0.000000070 -0.000000173 -0.000001001 0.000001354 -0.000000946 -0.000002782 0.000001158 -0.000001112 -0.000002008 -0.000000878 -0.000001039 -0.000002594 0.000000443 0.000001000 -0.000000475 0.000001551 0.000000093 -0.000001197 0.000001890 0.000001050 0.000001703 0.000000670 0.000000860 0.000000865 0.000000702 -0.000000620 0.000001086 -0.000002695 -0.000000405 0.000000349 -0.000001212 -0.000000708 0.000000858 -0.000002569 0.000000179 0.000002076 -0.000001634 0.000000120 0.000001348 -0.000000595 -0.000000488 0.000000169 -0.000001116 0.000000186 -0.000001429 0.000001847 120.107 AuxInfo=1/0/N: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/rA:27nC0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1464,.3915,.1823;3.0991,-.1727,-.8825;2.3091,-.3755,1.5315;.7236,.2779,-.1714;-.1831,1.4005,.0644;-1.6392,1.2004,-.3462;-2.1163,-.1957,-.0257;-1.2552,-1.2004,-.1931;-3.5263,-.3738,.4344;.1499,-.957,-.7054;2.9815,.338,-1.8398;2.9627,-1.2448,-1.0346;4.1238,-.0148,-.542;3.3433,-.2337,1.8513;2.1284,-1.4445,1.4106;1.6552,.0118,2.3145;.2716,2.3082,-.3596;-.0961,1.5793,1.1534;-1.7411,1.3837,-1.4236;-2.2576,1.9528,.1474;-1.5162,-2.2319,.0151;-3.7051,.1765,1.3638;-3.7692,-1.4233,.6017;-4.2253,.0249,-.3079;.1213,-.7541,-1.8001;.8163,-1.813,-.5917;2.3831,1.4432,.3706; Gaussian 16 GINC-EXP-13-50 CLIN7 Title Card Required ES64L-G16RevC.01 75 C1[X(C10H17)] RmPW1PW91 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RmPW1PW91/6-31G(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 0 0 0 0 0 120.107 AuxInfo=1/0/N: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/rA:27nC0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1464,.3915,.1823;3.0991,-.1727,-.8825;2.3091,-.3755,1.5315;.7236,.2779,-.1714;-.1831,1.4005,.0644;-1.6392,1.2004,-.3462;-2.1163,-.1957,-.0257;-1.2552,-1.2004,-.1931;-3.5263,-.3738,.4344;.1499,-.957,-.7054;2.9815,.338,-1.8398;2.9627,-1.2448,-1.0346;4.1238,-.0148,-.542;3.3433,-.2337,1.8513;2.1284,-1.4445,1.4106;1.6552,.0118,2.3145;.2716,2.3082,-.3596;-.0961,1.5793,1.1534;-1.7411,1.3837,-1.4236;-2.2576,1.9528,.1474;-1.5162,-2.2319,.0151;-3.7051,.1765,1.3638;-3.7692,-1.4233,.6017;-4.2253,.0249,-.3079;.1213,-.7541,-1.8001;.8163,-1.813,-.5917;2.3831,1.4432,.3706; Title Card Required Redundant internal coordinates found in file. (old form). Charge = 1 Multiplicity = 1 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 R24 R25 R26 R27 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 2 3 4 27 11 12 13 14 15 16 5 10 6 17 18 7 19 20 8 9 10 21 22 23 24 25 26 1.5362 1.5605 1.4705 1.0943 1.0915 1.0914 1.0912 1.0917 1.0909 1.0911 1.4622 1.4626 1.5261 1.1001 1.107 1.5098 1.0977 1.0919 1.3337 1.4939 1.5153 1.0842 1.0948 1.0902 1.0948 1.1137 1.0908 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 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 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 2 2 2 3 3 4 1 1 1 11 11 12 1 1 1 14 14 15 1 1 5 4 4 4 6 6 17 5 5 5 7 7 19 6 6 8 7 7 10 7 7 7 22 22 23 4 4 4 8 8 25 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 3 4 27 4 27 27 11 12 13 12 13 13 14 15 16 15 16 16 5 10 10 6 17 18 17 18 18 7 19 20 19 20 20 8 9 9 10 21 21 22 23 24 23 24 24 8 25 26 25 26 26 110.7372 113.8921 109.7608 105.7159 107.5145 108.9661 111.6696 112.3273 108.2371 108.9055 107.8838 107.6399 106.7489 111.6203 112.548 108.4606 108.1441 109.1584 120.1219 122.1804 117.6392 116.5887 108.3698 103.5272 113.5055 111.1456 102.3204 111.4484 109.3107 109.1744 109.4807 111.2425 106.0249 117.7711 118.2834 123.9355 121.3366 122.49 116.1698 110.8376 111.8536 110.5133 108.4947 106.7597 108.2033 112.0797 102.4293 112.6333 109.7412 113.9054 105.1359 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|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 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 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 3 3 3 4 4 4 27 27 27 2 2 2 4 4 4 27 27 27 2 2 3 3 27 27 1 1 1 10 10 10 1 1 1 5 5 5 4 4 4 17 17 17 18 18 18 5 5 19 19 20 20 6 6 9 9 6 6 6 8 8 8 7 7 7 21 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 10 10 10 10 10 10 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 12 13 11 12 13 11 12 13 14 15 16 14 15 16 14 15 16 5 10 5 10 5 10 6 17 18 6 17 18 8 25 26 8 25 26 7 19 20 7 19 20 7 19 20 8 9 8 9 8 9 10 21 10 21 22 23 24 22 23 24 4 25 26 4 25 26 178.6872 55.9977 -62.7033 59.708 -62.9814 178.3175 -62.7615 174.5491 55.8481 60.656 -57.7022 179.1504 -175.5349 66.1068 -57.0405 -59.2495 -177.6077 59.2449 -136.6503 46.1979 101.5498 -75.602 -13.7455 169.1027 179.3772 49.8712 -58.2567 -3.3439 -132.8499 119.0222 143.211 -99.2303 13.2013 -34.0082 83.5506 -164.0179 39.3608 -81.7922 162.6423 166.3738 45.2208 -70.3447 -78.9363 159.9106 44.3452 -37.4467 143.6525 83.6071 -95.2936 -159.5419 21.5574 -0.8168 179.9031 178.0164 -1.2637 -60.8023 177.9763 57.3511 120.3701 -0.8514 -121.4765 37.9538 -75.1466 167.3042 -142.7228 104.1768 -13.3724 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|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. saddle point 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. -0.00137 0.00142 0.00164 0.00250 0.00260 0.00379 0.00954 0.01158 0.01490 0.01873 0.02393 0.02607 0.03336 0.03621 0.03949 0.04194 0.04462 0.04516 0.04627 0.04721 0.04764 0.04929 0.05081 0.05567 0.05795 0.06542 0.07640 0.07689 0.08314 0.09947 0.10201 0.10686 0.11415 0.11578 0.12077 0.12535 0.12889 0.13671 0.14557 0.14656 0.15170 0.15726 0.16811 0.17784 0.18063 0.19334 0.20370 0.20851 0.26060 0.26257 0.27607 0.28962 0.29645 0.30438 0.31155 0.32281 0.32627 0.33273 0.33691 0.33819 0.34215 0.34255 0.34921 0.35081 0.35090 0.35152 0.35190 0.35256 0.35440 0.35596 0.35619 0.35631 0.36774 0.37023 0.60084 D31 D27 D26 D30 D34 1 0.27377 -0.27346 -0.26987 -0.26858 0.26828 D29 D32 D35 D25 D28 Angle between quadratic step and forces= 79.17 degrees. 1 2 0.00002968 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 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 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 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 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 2.90293 2.94898 2.77878 2.06798 2.06257 2.06240 2.06212 2.06302 2.06147 2.06197 2.76310 2.76390 2.88389 2.07895 2.09198 2.85309 2.07428 2.06333 2.52042 2.82302 2.86347 2.04877 2.06880 2.06020 2.06886 2.10454 2.06123 1.93273 1.98779 1.91569 1.84509 1.87648 1.90182 1.94900 1.96048 1.88909 1.90076 1.88293 1.87867 1.86312 1.94814 1.96433 1.89300 1.88747 1.90517 2.09652 2.13245 2.05319 2.03486 1.89141 1.80689 1.98104 1.93986 1.78583 1.94514 1.90783 1.90545 1.91080 1.94155 1.85048 2.05549 2.06444 2.16308 2.11772 2.13785 2.02754 1.93448 1.95221 1.92882 1.89359 1.86331 1.88850 1.95616 1.78773 1.96582 1.91535 1.98802 1.83497 3.11868 0.97734 -1.09438 1.04210 -1.09923 3.11223 -1.09539 3.04646 0.97473 1.05865 -1.00709 3.12676 -3.06366 1.15378 -0.99554 -1.03410 -3.09984 1.03402 -2.38500 0.80631 1.77238 -1.31950 -0.23990 2.95140 3.13072 0.87042 -1.01677 -0.05836 -2.31867 2.07733 2.49950 -1.73190 0.23041 -0.59355 1.45823 -2.86265 0.68698 -1.42754 2.83864 2.90377 0.78925 -1.22775 -1.37770 2.79097 0.77397 -0.65357 2.50721 1.45922 -1.66319 -2.78453 0.37625 -0.01426 3.13990 3.10697 -0.02205 -1.06120 3.10627 1.00097 2.10085 -0.01486 -2.12017 0.66242 -1.31156 2.92001 -2.49098 1.81823 -0.23339 -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 0.00000 -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 0.00000 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 -0.00001 -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 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -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 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 -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 -0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00004 0.00004 0.00004 0.00004 0.00004 0.00005 0.00004 0.00004 0.00004 -0.00003 -0.00002 -0.00003 -0.00002 -0.00002 -0.00002 0.00002 0.00004 0.00004 0.00002 0.00003 0.00003 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00004 -0.00003 -0.00003 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 0.00002 0.00003 0.00002 0.00003 0.00002 0.00003 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00003 -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 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -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 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 -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 -0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00004 0.00004 0.00004 0.00004 0.00004 0.00005 0.00004 0.00004 0.00004 -0.00003 -0.00002 -0.00003 -0.00002 -0.00002 -0.00002 0.00002 0.00004 0.00004 0.00002 0.00003 0.00003 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00004 -0.00003 -0.00003 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 0.00002 0.00003 0.00002 0.00003 0.00002 0.00003 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00003 2.90292 2.94898 2.77878 2.06798 2.06257 2.06240 2.06211 2.06302 2.06147 2.06197 2.76310 2.76390 2.88389 2.07895 2.09198 2.85309 2.07428 2.06333 2.52042 2.82302 2.86346 2.04877 2.06880 2.06020 2.06886 2.10454 2.06123 1.93273 1.98780 1.91569 1.84508 1.87648 1.90181 1.94900 1.96048 1.88910 1.90076 1.88293 1.87867 1.86312 1.94814 1.96434 1.89300 1.88747 1.90517 2.09652 2.13245 2.05320 2.03486 1.89140 1.80690 1.98104 1.93986 1.78583 1.94515 1.90783 1.90545 1.91079 1.94155 1.85048 2.05550 2.06443 2.16308 2.11773 2.13785 2.02754 1.93448 1.95221 1.92882 1.89359 1.86331 1.88851 1.95616 1.78773 1.96582 1.91535 1.98802 1.83496 3.11869 0.97736 -1.09437 1.04212 -1.09922 3.11224 -1.09538 3.04647 0.97474 1.05869 -1.00705 3.12681 -3.06362 1.15383 -0.99550 -1.03406 -3.09980 1.03406 -2.38503 0.80628 1.77235 -1.31953 -0.23993 2.95138 3.13075 0.87046 -1.01673 -0.05834 -2.31863 2.07736 2.49950 -1.73189 0.23041 -0.59355 1.45825 -2.86264 0.68694 -1.42758 2.83861 2.90372 0.78920 -1.22780 -1.37775 2.79092 0.77392 -0.65354 2.50724 1.45924 -1.66316 -2.78451 0.37627 -0.01425 3.13991 3.10697 -0.02205 -1.06121 3.10626 1.00096 2.10085 -0.01486 -2.12017 0.66240 -1.31158 2.91998 -2.49101 1.81820 -0.23342 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000000 0.000128 0.000030 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.361723e-11 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 R24 R25 R26 R27 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 2 3 4 27 11 12 13 14 15 16 5 10 6 17 18 7 19 20 8 9 10 21 22 23 24 25 26 1.5362 1.5605 1.4705 1.0943 1.0915 1.0914 1.0912 1.0917 1.0909 1.0911 1.4622 1.4626 1.5261 1.1001 1.107 1.5098 1.0977 1.0919 1.3337 1.4939 1.5153 1.0842 1.0948 1.0902 1.0948 1.1137 1.0908 -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 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 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 2 2 2 3 3 4 1 1 1 11 11 12 1 1 1 14 14 15 1 1 5 4 4 4 6 6 17 5 5 5 7 7 19 6 6 8 7 7 10 7 7 7 22 22 23 4 4 4 8 8 25 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 3 4 27 4 27 27 11 12 13 12 13 13 14 15 16 15 16 16 5 10 10 6 17 18 17 18 18 7 19 20 19 20 20 8 9 9 10 21 21 22 23 24 23 24 24 8 25 26 25 26 26 110.7372 113.8921 109.7608 105.7159 107.5145 108.9661 111.6696 112.3273 108.2371 108.9055 107.8838 107.6399 106.7489 111.6203 112.548 108.4606 108.1441 109.1584 120.1219 122.1804 117.6392 116.5887 108.3698 103.5272 113.5055 111.1456 102.3204 111.4484 109.3107 109.1744 109.4807 111.2425 106.0249 117.7711 118.2834 123.9355 121.3366 122.49 116.1698 110.8376 111.8536 110.5133 108.4947 106.7597 108.2033 112.0797 102.4293 112.6333 109.7412 113.9054 105.1359 -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|-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 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 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 3 3 3 4 4 4 27 27 27 2 2 2 4 4 4 27 27 27 2 2 3 3 27 27 1 1 1 10 10 10 1 1 1 5 5 5 4 4 4 17 17 17 18 18 18 5 5 19 19 20 20 6 6 9 9 6 6 6 8 8 8 7 7 7 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 10 10 10 10 10 10 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 11 12 13 11 12 13 11 12 13 14 15 16 14 15 16 14 15 16 5 10 5 10 5 10 6 17 18 6 17 18 8 25 26 8 25 26 7 19 20 7 19 20 7 19 20 8 9 8 9 8 9 10 21 10 21 22 23 24 22 23 24 4 25 26 4 25 178.6872 55.9977 -62.7033 59.708 -62.9814 178.3175 -62.7615 174.5491 55.8481 60.656 -57.7022 179.1504 -175.5349 66.1068 -57.0405 -59.2495 -177.6077 59.2449 -136.6503 46.1979 101.5498 -75.602 -13.7455 169.1027 179.3772 49.8712 -58.2567 -3.3439 -132.8499 119.0222 143.211 -99.2303 13.2013 -34.0082 83.5506 -164.0179 39.3608 -81.7922 162.6423 166.3738 45.2208 -70.3447 -78.9363 159.9106 44.3452 -37.4467 143.6525 83.6071 -95.2936 -159.5419 21.5574 -0.8168 179.9031 178.0164 -1.2637 -60.8023 177.9763 57.3511 120.3701 -0.8514 -121.4765 37.9538 -75.1466 167.3042 -142.7228 104.1768 -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|-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 6-31G(d,p) (6D, 7F) 235 A 235 A 235 399 235 38 38 543.8945794912 27 27 27 1.00e+00 60 F 0.000000 1.536164 0.000000 1.560531 2.548076 0.000000 1.470468 2.520285 2.416746 0.000000 2.541302 3.760887 3.393775 1.462171 0.000000 3.906921 4.962331 4.647395 2.542512 1.526089 0.000000 4.307900 5.285336 4.694790 2.882748 2.508672 1.509789 0.000000 3.774358 4.526752 4.044649 2.470106 2.825029 2.436155 1.333747 0.000000 5.729628 6.758043 5.937677 4.342049 3.802971 2.578478 1.493879 2.497033 0.000000 2.567552 3.056839 3.162981 1.462595 2.502259 2.825633 2.485371 1.515283 3.892825 0.000000 2.188456 1.091468 3.511060 2.808146 3.843090 4.932114 5.437235 4.798808 6.930446 3.313919 0.000000 2.196524 1.091375 2.787096 2.842079 4.254577 5.256489 5.283424 4.301275 6.710031 2.846608 1.776040 0.000000 2.144706 1.091224 2.778979 3.432813 4.573772 5.892936 6.263963 5.519131 7.720507 4.087308 1.764533 1.761719 0.000000 2.146854 2.745303 1.091705 3.348957 4.277695 5.631189 5.773278 5.124442 7.015587 4.154224 3.752614 3.081442 2.526839 0.000000 2.209018 2.795979 1.090882 2.728095 3.905025 4.927106 4.651821 3.752354 5.837427 2.937632 3.803978 2.591240 3.136545 1.770893 0.000000 2.220751 3.512767 1.091145 2.668022 3.220393 4.398308 4.443380 4.028432 5.525580 3.510665 4.373110 3.808548 3.775452 1.767576 1.778172 0.000000 2.735387 3.797852 3.863965 2.088571 1.100135 2.208723 3.476053 3.830064 4.716720 3.285725 3.662877 4.508009 4.502118 4.559012 4.545774 3.786642 0.000000 2.717106 4.174197 3.122392 2.029949 1.107030 2.184799 2.936311 3.299013 4.012209 3.154138 4.469007 4.703129 4.819010 3.950113 3.762716 2.621527 1.719171 0.000000 4.321508 5.112994 5.313338 2.977498 2.154462 1.097661 2.142350 2.903114 3.119002 3.093597 4.854839 5.402425 6.093369 6.260291 5.568129 5.233579 2.457134 3.063495 0.000000 4.672669 5.854319 5.309583 3.434325 2.148414 1.091866 2.160135 3.326219 2.665527 3.871734 5.831382 6.234884 6.713308 6.249300 5.689851 4.875863 2.603841 2.413202 1.748925 0.000000 4.508285 5.132940 4.514300 3.369035 3.869668 3.453452 2.123144 1.084164 2.769312 2.218234 5.502286 4.705002 6.085671 5.565865 3.981292 4.514383 4.893802 4.223477 3.897847 4.251950 0.000000 5.973461 7.173948 6.041839 4.688351 3.948670 2.870637 2.143291 3.212779 1.094761 4.519711 7.416257 7.227213 8.059797 7.077128 6.054752 5.446505 4.829964 3.877793 3.617286 2.594312 3.522869 0.000000 6.201855 7.137231 6.237626 4.865856 4.595998 3.509870 2.152376 2.646016 1.090212 4.157546 7.391578 6.930196 8.098795 7.318699 5.952838 5.866645 5.583554 4.776148 4.011814 3.726883 2.464482 1.773211 0.000000 6.401018 7.349593 6.800195 4.957249 4.286133 2.841006 2.139271 3.214994 1.094795 4.501622 7.374510 7.335405 8.352458 7.874801 6.744054 6.438806 5.043632 4.647798 3.043470 2.792161 3.540723 1.757354 1.769986 0.000000 3.056703 3.169819 4.003753 2.020055 2.865561 3.005554 2.909806 2.162488 4.294497 1.113673 3.061956 2.983420 4.260231 4.897436 3.848857 4.457571 3.387595 3.770337 2.860141 4.096264 2.856601 5.051506 4.620817 4.661139 0.000000 2.688437 2.825937 2.966994 2.134669 3.428658 3.894893 3.396461 2.196670 4.688603 1.090758 3.297364 2.264038 3.764975 3.853285 2.422100 3.532694 4.163505 3.922441 4.177434 4.916954 2.446336 5.312779 4.754252 5.373681 1.750538 0.000000 1.094327 2.166581 2.158862 2.099005 2.584749 4.092908 4.804953 4.532538 6.182806 3.450510 2.542751 3.088014 2.447100 2.434338 3.079737 2.521343 2.395889 2.603442 4.497981 4.673972 5.370053 6.297454 6.791248 6.792911 3.828371 3.739435 0.000000 C10H17(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N: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/rA:27nC0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.124,.3911,.1737;3.0767,-.1731,-.891;2.2867,-.3759,1.523;.7012,.2775,-.1799;-.2054,1.4001,.0558;-1.6616,1.2,-.3547;-2.1387,-.1961,-.0342;-1.2776,-1.2008,-.2016;-3.5487,-.3741,.4259;.1275,-.9574,-.714;2.9591,.3377,-1.8484;2.9403,-1.2452,-1.0431;4.1014,-.0152,-.5506;3.3209,-.2341,1.8427;2.106,-1.4449,1.402;1.6328,.0115,2.3059;.2492,2.3078,-.3681;-.1185,1.5789,1.1448;-1.7635,1.3833,-1.4322;-2.28,1.9524,.1388;-1.5386,-2.2323,.0066;-3.7275,.1761,1.3553;-3.7916,-1.4237,.5931;-4.2477,.0245,-.3165;.0989,-.7545,-1.8087;.7939,-1.8133,-.6003;2.3607,1.4428,.3621; 2.8029098 0.7367202 0.7029782 1 -390.952348906 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=418457805. There are 84 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 81 vectors produced by pass 0 Test12= 8.91D-15 1.19D-09 XBig12= 8.69D+01 3.98D+00. AX will form 81 AO Fock derivatives at one time. 81 vectors produced by pass 1 Test12= 8.91D-15 1.19D-09 XBig12= 5.38D+00 7.18D-01. 81 vectors produced by pass 2 Test12= 8.91D-15 1.19D-09 XBig12= 2.95D-02 3.01D-02. 81 vectors produced by pass 3 Test12= 8.91D-15 1.19D-09 XBig12= 6.93D-05 1.29D-03. 81 vectors produced by pass 4 Test12= 8.91D-15 1.19D-09 XBig12= 8.88D-08 2.63D-05. 47 vectors produced by pass 5 Test12= 8.91D-15 1.19D-09 XBig12= 7.66D-11 9.58D-07. 4 vectors produced by pass 6 Test12= 8.91D-15 1.19D-09 XBig12= 7.71D-14 3.13D-08. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 456 with 84 vectors. Isotropic polarizability for W= 0.000000 102.20 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT1469S 2026-02-13T03:00:58.000 -10.53660 -10.44529 -10.44427 -10.44096 -10.41098 -10.40788 -10.40591 -10.39907 -10.39656 -10.36378 -1.08365 -1.00560 -0.95642 -0.94587 -0.87333 -0.85913 -0.82497 -0.79869 -0.74405 -0.68961 -0.66610 -0.66429 -0.64351 -0.61068 -0.60307 -0.59153 -0.58862 -0.58121 -0.56340 -0.55733 -0.54640 -0.53076 -0.52873 -0.52504 -0.51369 -0.50166 -0.48870 -0.39889 -0.27899 -0.12355 -0.07328 -0.04014 -0.03151 -0.02697 -0.01600 0.00324 0.01525 0.01690 0.02449 0.02806 0.03414 0.04025 0.04967 0.05684 0.05806 0.06636 0.06846 0.07362 0.08858 0.09697 0.10653 0.12464 0.13920 0.16346 0.18021 0.22832 0.29839 0.33650 0.34699 0.35964 0.36896 0.37968 0.38863 0.41689 0.42020 0.43168 0.44480 0.47043 0.48051 0.49165 0.50424 0.52368 0.53381 0.54691 0.56846 0.57809 0.58097 0.59683 0.62150 0.64303 0.65429 0.66103 0.67984 0.69721 0.70873 0.70963 0.72318 0.72958 0.74230 0.75053 0.75871 0.76143 0.77179 0.77798 0.78464 0.78767 0.80060 0.80586 0.81706 0.83635 0.85050 0.85392 0.86030 0.90943 0.95542 1.02886 1.03441 1.05990 1.10497 1.15268 1.20633 1.23282 1.26485 1.30582 1.32785 1.36590 1.37859 1.39745 1.45603 1.47914 1.49756 1.53734 1.54194 1.59188 1.60486 1.63327 1.63712 1.65590 1.66622 1.68516 1.70052 1.70995 1.71708 1.74441 1.77263 1.81846 1.82637 1.84565 1.85362 1.87329 1.89238 1.90208 1.91755 1.92677 1.93606 1.95203 1.95396 1.96815 1.97341 1.98697 2.00038 2.00305 2.00760 2.03013 2.06483 2.08105 2.10320 2.10917 2.14764 2.17207 2.19583 2.19901 2.21562 2.23236 2.23651 2.26809 2.30446 2.31018 2.32329 2.35671 2.39182 2.41676 2.43395 2.45982 2.47782 2.48454 2.49015 2.51773 2.54496 2.56410 2.57422 2.58877 2.59808 2.61270 2.64760 2.66912 2.68391 2.69683 2.73495 2.74836 2.75496 2.76313 2.77309 2.80135 2.82153 2.84568 2.89595 3.02354 3.05875 3.09256 3.10438 3.11598 3.11910 3.18158 3.20561 3.26400 3.29118 3.31687 3.33138 3.34307 3.35113 3.35254 3.37290 3.39304 3.46269 4.04244 4.09390 4.22791 4.26417 4.35575 4.39162 4.39702 4.50288 4.53722 4.66201 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 C C C C C C C C C C H H H H H H H H H H H H H H H H H -0.241797 -0.400609 -0.403203 0.281846 -0.347521 -0.323379 0.114499 -0.170252 -0.447373 -0.356459 0.174849 0.166713 0.195118 0.207128 0.177947 0.175032 0.233515 0.242479 0.194372 0.189176 0.178983 0.169660 0.170398 0.177734 0.245308 0.202320 0.193516 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 C C C C C C C C C C -0.048280 0.136071 0.156904 0.281846 0.128472 0.060169 0.114499 0.008732 0.070419 0.091168 1.00000 128.957 -6.457 95.841 -1.420 1.565 81.793 155.356 -14.773 146.823 -2.172 5.405 119.686 -51.7324 -6.7780 -0.0006 -0.0005 -0.0001 2.0676 6.8248 50.4645 138.9708 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -51.7301 50.4579 138.9701 171.4805 173.3855 209.8156 223.9777 237.4652 255.9585 286.0174 338.3603 365.9525 441.8134 464.6829 511.7532 559.0885 594.5782 702.1833 768.7431 795.5891 869.2870 872.9078 918.7237 939.5710 950.0586 972.3786 983.1216 1015.3368 1039.2822 1056.8847 1058.2945 1088.6590 1104.2673 1143.3237 1176.3985 1192.4367 1218.2157 1255.1817 1275.4327 1309.4002 1314.7538 1342.8793 1373.6309 1395.0943 1404.9237 1413.8568 1431.3743 1435.0495 1449.5783 1467.9218 1488.7547 1491.7860 1494.4892 1497.0455 1498.5137 1511.3342 1527.4480 1764.2158 2914.6719 2994.3538 3062.7198 3068.2868 3071.0890 3089.4582 3091.5018 3106.2423 3135.2653 3148.0248 3158.1295 3183.9444 3183.9896 3184.6791 3185.0306 3193.1073 3239.4108 2.7046 2.6424 1.6618 1.4598 1.5025 1.5866 1.6051 1.1182 1.9398 2.7881 2.2936 2.1049 2.4981 2.2482 2.4380 2.2989 2.7272 2.5602 2.4045 1.8684 2.0496 1.9779 2.3308 1.8271 1.3347 1.4758 1.8034 2.0756 1.4242 1.6656 1.5722 1.7752 1.6027 1.6151 1.7637 1.4756 2.0934 1.4423 1.4449 1.2919 1.4495 1.2443 1.5978 1.1814 1.4011 1.2110 1.3117 1.3288 1.8381 1.8946 1.0536 1.0475 1.0418 1.0641 1.0823 1.0418 1.1565 6.9510 1.0701 1.0718 1.0772 1.0450 1.0702 1.0339 1.0354 1.0854 1.1005 1.0956 1.0871 1.1020 1.1044 1.1039 1.1032 1.1050 1.0934 0.0043 0.0040 0.0189 0.0253 0.0266 0.0412 0.0474 0.0372 0.0749 0.1344 0.1547 0.1661 0.2873 0.2860 0.3762 0.4234 0.5681 0.7437 0.8372 0.6968 0.9125 0.8880 1.1591 0.9503 0.7098 0.8221 1.0270 1.2607 0.9063 1.0961 1.0374 1.2396 1.1515 1.2439 1.4381 1.2362 1.8304 1.3388 1.3849 1.3051 1.4762 1.3221 1.7763 1.3547 1.6294 1.4263 1.5834 1.6123 2.2756 2.4054 1.3759 1.3735 1.3710 1.4051 1.4319 1.4020 1.5897 12.7468 5.3563 5.6619 5.9532 5.7967 5.9468 5.8140 5.8305 6.1703 6.3735 6.3971 6.3885 6.5821 6.5964 6.5967 6.5936 6.6382 6.7600 1.8101 0.4296 2.6073 2.3452 0.4440 0.4580 0.6409 0.0205 6.8319 0.6122 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