Gaussian 16 GINC-C6-86 YHASHIM Title Card Required ES64L-G16RevA.03 20-Jan-2022 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 1 1 TD[O(Sn),4C3(Br)] TD[O(Sn),4C3(Br)] RM062X GenECP FOpt #p optfreq genecp scrf=(smd,solvent=ch2cl2) m062x 438.32599999999996 0 1 AuxInfo=1/1/N:2;3;4;5;1/rA:5SnBrBrBrBr/rB:s1;s1;s1;s1;/rC:;;;;; g16 Output=YH_P05_J032_SnBr4.log chk=YH_P05_J032_SnBr4.chk nprocshared=16 mem=16GB #p opt freq genecp scrf=(smd,solvent=ch2cl2) m062x 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=7,11=2,16=1,17=8,25=1,30=1,70=32201,71=1,72=9,74=-55/1,2,3 4//1 5/5=2,38=5,53=9/2 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=7,6=1,11=2,16=1,17=8,25=1,30=1,70=32205,71=1,72=9,74=-55,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=9/2 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 Title Card Required 1 2 3 4 5 118 79 79 79 79 117.9018000 78.9183361 78.9183361 78.9183361 78.9183361 0 3 3 3 3 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /share/apps/g16/l101.exe) Berny optimization. R1 R2 R3 R4 1 1 1 1 2 3 4 5 2.54 2.54 2.54 2.54 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 2 2 2 3 3 4 1 1 1 1 1 1 3 4 5 4 5 5 109.4712 109.4712 109.4712 109.4712 109.4712 109.4712 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 2 2 2 3 1 1 1 1 4 5 5 5 3 3 4 4 -120.0 120.0 -120.0 120.0 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 24 Symmetry operations used in ECPInt. ECPInt: NShTT= 2926 NPrTT= 10578 LenC2= 2129 LenP2D= 5940. LDataN: DoStor=T MaxTD1= 6 Len= 172 NBasis= 184 RedAO= T EigKep= 1.07D-02 NBF= 46 46 46 46 NBsUse= 184 1.00D-06 EigRej= -1.00D+00 NBFU= 46 46 46 46 Berny optimization. local minimum Step number 3 out of a maximum of 24 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.07852 0.08846 0.10024 0.10024 0.10024 0.13441 0.13992 0.25000 0.25000 0.00000000e+00 R1 R2 R3 R4 A1 A2 A3 A4 A5 A6 D1 D2 D3 D4 4.66637 4.66637 4.66637 4.66637 1.91063 1.91063 1.91063 1.91063 1.91063 1.91063 -2.09440 2.09440 -2.09440 2.09440 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 4.66635 4.66635 4.66635 4.66635 1.91063 1.91063 1.91063 1.91063 1.91063 1.91063 -2.09440 2.09440 -2.09440 2.09440 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000003 0.000002 0.000024 0.000013 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.596770e-10 Optimization completed. -- Stationary point found. R1 R2 R3 R4 1 1 1 1 2 3 4 5 2.4693 2.4693 2.4693 2.4693 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 2 2 2 3 3 4 1 1 1 1 1 1 3 4 5 4 5 5 109.4712 109.4712 109.4712 109.4712 109.4712 109.4712 -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 2 2 2 1 1 1 4 5 5 3 3 4 -120.0 120.0 -120.0 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 2 3 4 5 6-311G** 1 SDD 1 50 4 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 1.9697250 0.9723750 67.92534700 -7.47854600 0.00000000 0.00000000 P - G 2 2 1.9992100 0.9990420 56.60288000 -2.16177600 0.00000000 0.00000000 D - G 2 0.5003610 2.57633600 0.00000000 F - G 2 1.2308800 -10.10925300 0.00000000 2 35 No pseudopotential on this center. 3 35 No pseudopotential on this center. 4 35 No pseudopotential on this center. 5 35 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F IExCor= 4336 DFT=T Ex+Corr=M062X ExCW=0 ScaHFX= 0.540000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 5 5 2 4.00e+00 60 F PCM SMD-Coulomb. Total charges None On-the-fly selection Dichloromethane 8.930000 2.028346 0 0 0 0 0 438.32599999999996 AuxInfo=1/1/N:2;3;4;5;1/rA:5SnBrBrBrBr/rB:s1;s1;s1;s1;/rC:;;;;; 0.000000 2.540000 0.000000 2.540000 4.147803 0.000000 2.540000 4.147803 4.147803 0.000000 2.540000 4.147803 4.147803 4.147803 0.000000 Br4Sn TD 24 D2 4 D2 4 0 0 0 0 0 438.32599999999996 AuxInfo=1/1/N:2;3;4;5;1/rA:5SnBrBrBrBr/rB:s1;s1;s1;s1;/rC:;;;;; 0.3722229 0.3722229 0.3722229 -485.36480 -485.36480 -485.36480 -485.36480 -63.35700 -63.35700 -63.35700 -63.35700 -57.18420 -57.18420 -57.18420 -57.18420 -57.18190 -57.18190 -57.18190 -57.18190 -57.18190 -57.18190 -57.18190 -57.18190 -9.04362 -9.04362 -9.04362 -9.04361 -6.87079 -6.87079 -6.87079 -6.87079 -6.86144 -6.86144 -6.86144 -6.86144 -6.86144 -6.86144 -6.86144 -6.86144 -2.90207 -2.90206 -2.90206 -2.90206 -2.89909 -2.89909 -2.89909 -2.89909 -2.89909 -2.89909 -2.89908 -2.89908 -2.89091 -2.89091 -2.89091 -2.89091 -2.89091 -2.89091 -2.89091 -2.89091 -0.90285 -0.87862 -0.87862 -0.87862 -0.59861 -0.45576 -0.45576 -0.45576 -0.39348 -0.39348 -0.38823 -0.38823 -0.38823 -0.37850 -0.37850 -0.37850 -0.13821 -0.02129 -0.02129 -0.02129 0.27259 0.27259 0.27259 0.27316 0.28110 0.28110 0.30236 0.30236 0.30236 0.37110 0.37110 0.37110 0.40173 0.41729 0.41729 0.41729 0.51380 0.51380 0.51380 0.62070 0.62070 0.62789 0.62789 0.62789 0.65219 0.65219 0.65221 0.65221 0.65221 0.65300 0.65300 0.65300 0.79080 0.79385 0.79385 0.79385 0.84091 0.84091 0.84091 1.88745 1.88745 1.90816 1.90974 1.90974 1.90974 1.92173 1.92173 1.92173 1.92312 1.92312 1.92312 4.23905 4.23905 4.24259 4.24259 4.24259 4.24991 4.24991 4.24991 4.24996 4.24996 4.25004 4.25004 4.25004 4.29473 4.29473 4.29473 4.32881 4.32881 4.32881 4.33066 6.43336 6.56436 6.56436 6.56436 7.51128 7.51128 7.52464 7.52464 7.52464 7.52530 7.53913 7.53913 7.53913 7.54019 7.54019 7.54019 13.39386 48.06249 48.13936 48.13936 48.13936 290.65208 290.65208 290.67939 290.67939 290.67939 290.68745 290.68745 290.68745 290.69368 290.69837 290.69837 290.698371020 .543851020 .64585 1020.645851020 .64585 1-A1. -0.0000 0.0000 0.0000 0.0000 -93.4234 -93.4234 -93.4234 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 2.3154 -1088.7257 -1088.7257 -1088.7257 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -347.9751 -347.9751 -347.9751 0.0000 0.0000 -0.0000 0 0 0 0 0 438.32599999999996 AuxInfo=1/1/N:2;3;4;5;1/rA:5SnBrBrBrBr/rB:s1;s1;s1;s1;/rC:;;;;; 0.000000 2.469339 0.000000 2.469339 4.032413 0.000000 2.469339 4.032413 4.032413 0.000000 2.469339 4.032413 4.032413 4.032413 0.000000 Br4Sn TD 24 D2 4 D2 4 0 0 0 0 0 438.32599999999996 AuxInfo=1/1/N:2;3;4;5;1/rA:5SnBrBrBrBr/rB:s1;s1;s1;s1;/rC:;;;;; 0.3938304 0.3938304 0.3938304 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 50. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 196 196 196 196 196 MxSgAt= 5 MxSgA2= 5. 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 24 Symmetry operations used in ECPInt. ECPInt: NShTT= 2926 NPrTT= 10578 LenC2= 2153 LenP2D= 5964. LDataN: DoStor=T MaxTD1= 6 Len= 172 NBasis= 184 RedAO= T EigKep= 1.06D-02 NBF= 46 46 46 46 NBsUse= 184 1.00D-06 EigRej= -1.00D+00 NBFU= 46 46 46 46 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 50. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 196 196 196 196 196 MxSgAt= 5 MxSgA2= 5. 1 = 6.60D-02 ExpMax= 4.40D+05 ExpMxC= 1.51D+04 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 functional with IExCor= 1009 and IRadAn= 5 diagonalized for initial guess. : IExCor= 1009 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 (T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(A1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(E)|(E)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1) (A1)|(T2)|(T2)|(T2)|(A1)|(E)|(E)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(E)|(E)|(A1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2) -6.66133815e-15 2.84217094e-14 2.57571742e-14 1 2 3 4 5 50 35 35 35 35 -0.000000000 0.000000000 -0.000000000 -0.005310965 0.015022264 0.000000000 -0.005311242 -0.007511034 -0.013009606 -0.005311242 -0.007511034 0.013009606 0.015933448 -0.000000196 -0.000000000 0.015933448 0.008227997 (Enter /share/apps/g16/l716.exe) Closed 1 1 1 -10300.2291559917 -10300.2291663126 -0.000010320888 -10300.2291671864 -0.000000873823 -10300.2291676217 -0.000000435321 -10300.2291676304 -0.000000008697 -10300.2291676316 -0.000000001157 -10300.2291676317 -0.000000000153 -10300.2291676317 0.000000000020 -10300.2291676 8 1.028609155992e+04 -2.678780569723e+04 5.116941400380e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2147483648 LenX= 2111141027 LenY= 2111102170 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. (Enter /share/apps/g16/l716.exe) PT379.800S 2022-01-20T10:17:55.000 Mulliken charges: 1 1 2 3 4 5 Sn Br Br Br Br 1.046908 -0.261727 -0.261727 -0.261727 -0.261727 -0.00000 -485.36336 -485.36336 -485.36336 -485.36336 -63.35592 -63.35592 -63.35592 -63.35592 -57.18300 -57.18300 -57.18300 -57.18300 -57.18082 -57.18082 -57.18082 -57.18082 -57.18082 -57.18082 -57.18082 -57.18082 -9.04281 -9.04281 -9.04281 -9.04281 -6.86987 -6.86985 -6.86985 -6.86985 -6.86076 -6.86076 -6.86076 -6.86076 -6.86076 -6.86076 -6.86076 -6.86076 -2.90120 -2.90117 -2.90117 -2.90117 -2.89825 -2.89825 -2.89825 -2.89825 -2.89825 -2.89825 -2.89824 -2.89824 -2.89033 -2.89033 -2.89033 -2.89033 -2.89033 -2.89032 -2.89032 -2.89032 -0.91199 -0.88171 -0.88171 -0.88171 -0.60095 -0.46255 -0.46255 -0.46255 -0.39586 -0.39586 -0.38962 -0.38962 -0.38962 -0.37831 -0.37831 -0.37831 -0.11384 -0.00633 -0.00633 -0.00633 0.27084 0.27278 0.27278 0.27278 0.28374 0.28374 0.30343 0.30343 0.30343 0.37075 0.37075 0.37075 0.39786 0.40865 0.40865 0.40865 0.52700 0.52700 0.52700 0.61744 0.61744 0.62851 0.62851 0.62851 0.65159 0.65159 0.65206 0.65206 0.65206 0.65363 0.65363 0.65363 0.80066 0.80066 0.80066 0.81937 0.87848 0.87848 0.87848 1.89262 1.89262 1.89719 1.89719 1.89719 1.91767 1.91767 1.91767 1.93021 1.93227 1.93227 1.93227 4.23776 4.23776 4.24317 4.24317 4.24317 4.25022 4.25022 4.25022 4.25032 4.25032 4.25073 4.25073 4.25073 4.30095 4.30095 4.30095 4.34462 4.34462 4.34462 4.34948 6.43516 6.58403 6.58403 6.58403 7.51619 7.51619 7.51742 7.51742 7.51742 7.53715 7.53715 7.53715 7.54904 7.54928 7.54928 7.54928 13.45068 48.06765 48.15676 48.15676 48.15676 290.65833 290.65833 290.67954 290.67954 290.67954 290.68734 290.68734 290.68734 290.70240 290.70240 290.70240 290.716261020 .549991020 .66784 1020.667841020 .66784 1-A1. Mulliken charges: 1 1 2 3 4 5 Sn Br Br Br Br 1.031078 -0.257769 -0.257769 -0.257769 -0.257769 -0.00000 1-A1. 4.88498131e-15 6.66133815e-15 -1.90958360e-14 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0000 0.0000 0.0000 0.0000 -92.8053 -92.8053 -92.8053 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 2.3920 -1032.0625 -1032.0625 -1032.0625 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -330.0637 -330.0637 -330.0637 0.0000 -0.0000 0.0000 (A1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(E)|(E)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2) (A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2) (T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1) (T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1) 0 1-A1 -10300.2291676 1.21E-9 1.726E-6 0.,0.,0.,0.,0.,0. TD[O(Sn1),4C3(Br1)] 0. 0. 0. -0.000000000 0.000000000 -0.000000000 -0.000001114 0.000003151 0.000000000 -0.000001114 -0.000001576 -0.000002729 -0.000001114 -0.000001576 0.000002729 0.000003342 -0.000000000 0.000000000 438.32599999999996 AuxInfo=1/1/N:2;3;4;5;1/rA:5SnBrBrBrBr/rB:s1;s1;s1;s1;/rC:;;;;; Gaussian 16 GINC-C6-86 YHASHIM Title Card Required ES64L-G16RevA.03 1 TD[O(Sn),4C3(Br)] RM062X GenECP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RM062X/GenECP Freq 0 0 0 0 0 438.32599999999996 AuxInfo=1/1/N:2;3;4;5;1/rA:5SnBrBrBrBr/rB:s1;s1;s1;s1;/rC:;;;;; Title Card Required Redundant internal coordinates found in file. (old form). 1 2 3 4 5 118 79 79 79 79 117.9018000 78.9183361 78.9183361 78.9183361 78.9183361 0 3 3 3 3 5500.0000000 24.5000000 24.5000000 24.5000000 24.5000000 (Enter /share/apps/g16/l101.exe) Structure from the checkpoint file: "YH_P05_J032_SnBr4.chk" Berny optimization. R1 R2 R3 R4 1 1 1 1 2 3 4 5 2.4693 2.4693 2.4693 2.4693 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 2 2 2 3 3 4 1 1 1 1 1 1 3 4 5 4 5 5 109.4712 109.4712 109.4712 109.4712 109.4712 109.4712 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 2 2 2 3 1 1 1 1 4 5 5 5 3 3 4 4 -120.0 120.0 -120.0 120.0 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. 0.03201 0.03659 0.05748 0.08312 0.08412 0.12572 0.12572 0.12665 0.13866 Angle between quadratic step and forces= 0.00 degrees. 1 2 0.00001288 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 A1 A2 A3 A4 A5 A6 D1 D2 D3 D4 4.66637 4.66637 4.66637 4.66637 1.91063 1.91063 1.91063 1.91063 1.91063 1.91063 -2.09440 2.09440 -2.09440 2.09440 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 4.66635 4.66635 4.66635 4.66635 1.91063 1.91063 1.91063 1.91063 1.91063 1.91063 -2.09440 2.09440 -2.09440 2.09440 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000003 0.000002 0.000024 0.000013 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.609682e-10 Optimization completed. -- Stationary point found. R1 R2 R3 R4 1 1 1 1 2 3 4 5 2.4693 2.4693 2.4693 2.4693 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 2 2 2 3 3 4 1 1 1 1 1 1 3 4 5 4 5 5 109.4712 109.4712 109.4712 109.4712 109.4712 109.4712 -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 2 2 2 1 1 1 4 5 5 3 3 4 -120.0 120.0 -120.0 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 PCM SMD-Coulomb. Total charges None Matrix inversion Dichloromethane 8.930000 2.028346 0.000000 2.469339 0.000000 2.469339 4.032413 0.000000 2.469339 4.032413 4.032413 0.000000 2.469339 4.032413 4.032413 4.032413 0.000000 Br4Sn TD 24 D2 4 D2 4 0 0 0 0 0 438.32599999999996 AuxInfo=1/1/N:2;3;4;5;1/rA:5SnBrBrBrBr/rB:s1;s1;s1;s1;/rC:;;;;; 0.3938304 0.3938304 0.3938304 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 24 Symmetry operations used in ECPInt. ECPInt: NShTT= 2926 NPrTT= 10578 LenC2= 2153 LenP2D= 5964. LDataN: DoStor=T MaxTD1= 6 Len= 172 NBasis= 184 RedAO= T EigKep= 1.06D-02 NBF= 46 46 46 46 NBsUse= 184 1.00D-06 EigRej= -1.00D+00 NBFU= 46 46 46 46 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 50. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 196 196 196 196 196 MxSgAt= 5 MxSgA2= 5. 1 (T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1) (A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2) Closed 1 1 1 -10300.2291676317 -10300.2291676 1 1.028609155981e+04 -2.678780569704e+04 5.116941400297e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2147483648 LenX= 2111141027 LenY= 2111102170 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. Using compressed storage, NAtomX= 5. Will process 6 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 8.9300, EpsInf= 2.0283) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Using symmetry in CPHF. 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. Defaulting to unpruned grid for atomic number 50. 1407 words used for storage of precomputed grid. Keep R1 ints in memory in symmetry-blocked form, NReq=181113326. 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= 17020 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. MDV= 2147483648 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. Defaulting to unpruned grid for atomic number 50. There are 9 degrees of freedom in the 1st order CPHF. IDoFFX=4 NUNeed= 9. 9 vectors produced by pass 0 Test12= 8.96D-14 1.11D-08 XBig12= 6.82D+01 3.87D+00. AX will form 9 AO Fock derivatives at one time. 9 vectors produced by pass 1 Test12= 8.96D-14 1.11D-08 XBig12= 6.34D+00 7.31D-01. 9 vectors produced by pass 2 Test12= 8.96D-14 1.11D-08 XBig12= 3.29D-01 2.37D-01. 9 vectors produced by pass 3 Test12= 8.96D-14 1.11D-08 XBig12= 4.45D-02 6.90D-02. 9 vectors produced by pass 4 Test12= 8.96D-14 1.11D-08 XBig12= 7.15D-04 7.75D-03. 9 vectors produced by pass 5 Test12= 8.96D-14 1.11D-08 XBig12= 3.78D-06 4.94D-04. 9 vectors produced by pass 6 Test12= 8.96D-14 1.11D-08 XBig12= 1.30D-08 3.64D-05. 9 vectors produced by pass 7 Test12= 8.96D-14 1.11D-08 XBig12= 5.79D-11 2.12D-06. 4 vectors produced by pass 8 Test12= 8.96D-14 1.11D-08 XBig12= 2.26D-13 1.10D-07. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 76 with 9 vectors. FullF1: Do perturbations 1 to 9. Isotropic polarizability for W= 0.000000 112.04 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 112.044 0.000 112.044 -0.000 0.000 112.044 123.006 -0.000 123.006 -0.000 0.000 123.006 (Enter /share/apps/g16/l716.exe) PT336.900S 2022-01-20T10:18:19.000 -485.36336 -485.36336 -485.36336 -485.36336 -63.35592 -63.35592 -63.35592 -63.35592 -57.18300 -57.18300 -57.18300 -57.18300 -57.18082 -57.18082 -57.18082 -57.18082 -57.18082 -57.18082 -57.18082 -57.18082 -9.04281 -9.04281 -9.04281 -9.04281 -6.86987 -6.86985 -6.86985 -6.86985 -6.86076 -6.86076 -6.86076 -6.86076 -6.86076 -6.86076 -6.86076 -6.86076 -2.90120 -2.90117 -2.90117 -2.90117 -2.89825 -2.89825 -2.89825 -2.89825 -2.89825 -2.89825 -2.89824 -2.89824 -2.89033 -2.89033 -2.89033 -2.89033 -2.89033 -2.89032 -2.89032 -2.89032 -0.91199 -0.88171 -0.88171 -0.88171 -0.60095 -0.46255 -0.46255 -0.46255 -0.39586 -0.39586 -0.38962 -0.38962 -0.38962 -0.37831 -0.37831 -0.37831 -0.11384 -0.00633 -0.00633 -0.00633 0.27084 0.27278 0.27278 0.27278 0.28374 0.28374 0.30343 0.30343 0.30343 0.37075 0.37075 0.37075 0.39786 0.40865 0.40865 0.40865 0.52700 0.52700 0.52700 0.61744 0.61744 0.62851 0.62851 0.62851 0.65159 0.65159 0.65206 0.65206 0.65206 0.65363 0.65363 0.65363 0.80066 0.80066 0.80066 0.81937 0.87848 0.87848 0.87848 1.89262 1.89262 1.89719 1.89719 1.89719 1.91767 1.91767 1.91767 1.93021 1.93227 1.93227 1.93227 4.23776 4.23776 4.24317 4.24317 4.24317 4.25022 4.25022 4.25022 4.25032 4.25032 4.25073 4.25073 4.25073 4.30095 4.30095 4.30095 4.34462 4.34462 4.34462 4.34948 6.43516 6.58403 6.58403 6.58403 7.51619 7.51619 7.51742 7.51742 7.51742 7.53715 7.53715 7.53715 7.54904 7.54928 7.54928 7.54928 13.45068 48.06765 48.15676 48.15676 48.15676 290.65833 290.65833 290.67954 290.67954 290.67954 290.68734 290.68734 290.68734 290.70240 290.70240 290.70240 290.716261020 .549991020 .66784 1020.667841020 .66784 1-A1. Mulliken charges: 1 1 2 3 4 5 Sn Br Br Br Br 1.031078 -0.257769 -0.257769 -0.257769 -0.257769 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 Sn Br Br Br Br 1.031078 -0.257769 -0.257769 -0.257769 -0.257769 0.00000 1-A1. -1.04528293e-14 1.50828839e-14 2.66892832e-15 1.12043871e+02 9.52448572e-11 1.12043871e+02 -6.13797918e-11 3.89208254e-10 1.12043871e+02 -13.2284 -13.2284 -13.2284 -0.0063 0.0018 0.0078 60.9277 60.9277 82.9167 1 2 3 4 5 6 7 8 9 E|E|T2|T2|T2|A1|T2|T2|T2 60.9277 60.9277 82.9167 82.9167 82.9167 215.4740 274.3299 274.3299 274.3299 78.9183 78.9183 86.1127 86.1127 86.1127 78.9183 93.6367 93.6367 93.6367 0.1726 0.1726 0.3488 0.3488 0.3488 2.1588 4.1519 4.1519 4.1519 0.0000 0.0000 9.0325 9.0325 9.0325 0.0000 69.1955 69.1955 69.1955 0.00 -0.00 -0.00 -0.29 0.39 -0.10 0.29 -0.39 -0.10 0.29 0.39 0.10 -0.29 -0.39 0.10 0.00 0.00 -0.00 -0.29 -0.11 0.39 0.29 0.11 0.39 0.29 -0.11 -0.39 -0.29 0.11 -0.39 -0.03 0.08 0.42 0.36 0.24 -0.12 -0.23 -0.34 -0.19 0.25 -0.30 -0.23 -0.34 0.28 -0.08 -0.13 0.40 -0.09 0.27 -0.30 0.22 0.39 -0.18 -0.16 -0.29 -0.00 -0.34 -0.17 -0.12 0.40 0.41 0.13 0.00 -0.06 0.24 0.37 -0.06 0.23 -0.38 -0.24 -0.34 0.19 -0.25 -0.33 -0.19 -0.00 -0.00 -0.00 0.29 0.29 0.29 -0.29 -0.29 0.29 -0.29 0.29 -0.29 0.29 -0.29 -0.29 0.37 0.19 0.45 -0.38 -0.37 -0.38 -0.04 -0.04 0.04 -0.24 0.23 -0.24 0.10 -0.10 -0.10 -0.06 0.58 -0.20 -0.12 -0.12 -0.12 -0.27 -0.27 0.27 0.31 -0.31 0.31 0.16 -0.16 -0.16 0.48 -0.08 -0.37 -0.01 -0.01 -0.01 -0.29 -0.29 0.29 -0.07 0.07 -0.07 -0.35 0.34 0.35 50 35 35 35 35 298.150 1.00000 1 2 3 4 5 50 35 35 35 35 117.90180 78.91834 78.91834 78.91834 78.91834 433.57514 4582.53446 4582.53446 4582.53446 -0.06328 0.998 0.0 0.998 0.06328 0.0 -0.0 0.0 1.0 spherical 12 0.01890 0.01890 0.01890 0.39383 0.39383 0.39383 8428.1 87.66 87.66 119.30 119.30 119.30 310.02 394.70 394.70 394.70 0.003210 0.011867 0.012811 -0.034275 -10300.225958 -10300.217300 -10300.216356 -10300.263443 7.447 22.770 99.102 0.000 0.000 0.000 0.889 2.981 44.091 0.889 2.981 27.993 5.669 16.808 27.019 1 0.597 1.973 4.427 2 0.597 1.973 4.427 3 0.600 1.961 3.821 4 0.600 1.961 3.821 5 0.600 1.961 3.821 6 0.645 1.817 1.997 7 0.677 1.721 1.569 8 0.677 1.721 1.569 9 0.677 1.721 1.569 0.582896e+16 15.765591 36.301614 0.174635e+18 17.242131 39.701474 0.561329e+02 1.749217 4.027722 1 0.338893e+01 0.530063 1.220515 2 0.338893e+01 0.530063 1.220515 3 0.248260e+01 0.394906 0.909305 4 0.248260e+01 0.394906 0.909305 5 0.248260e+01 0.394906 0.909305 6 0.919718e+00 -0.036345 -0.083688 7 0.702920e+00 -0.153094 -0.352512 8 0.702920e+00 -0.153094 -0.352512 9 0.702920e+00 -0.153094 -0.352512 0.168174e+04 3.225758 7.427581 1 0.392562e+01 0.593908 1.367524 2 0.392562e+01 0.593908 1.367524 3 0.303245e+01 0.481793 1.109370 4 0.303245e+01 0.481793 1.109370 5 0.303245e+01 0.481793 1.109370 6 0.154684e+01 0.189446 0.436217 7 0.136261e+01 0.134372 0.309402 8 0.136261e+01 0.134372 0.309402 9 0.136261e+01 0.134372 0.309402 0.100000e+01 0.000000 0.000000 0.354855e+09 8.550050 19.687219 0.292633e+06 5.466323 12.586674 Title Card Required ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0000 0.0000 0.0000 0.0000 -92.8053 -92.8053 -92.8053 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 2.3920 -1032.0625 -1032.0625 -1032.0625 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -330.0637 -330.0637 -330.0637 -0.0000 -0.0000 0.0000 (A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(A1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2) (T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(A1)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1)|(T2)|(T2)|(T2)|(E)|(E)|(T1)|(T1)|(T1)|(E)|(E)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(A1)|(T2)|(T2)|(T2)|(E)|(E)|(T2)|(T2)|(T2)|(T1)|(T1)|(T1) 0 1-A1 -10300.2291676 1.108E-10 1.725E-6 0.0032101 0.0118671 0.,0.,0.,0.,0.,0. TD [O(Sn1),4C3(Br1)] 0. 0. 0. 2.51995 0. 0. 0. 2.51995 0. 0. 0. 2.51995 -0.4642098 0.2344298 0. 0.2344298 -1.0444232 0. 0. 0. -0.3813295 -0.4642184 -0.1172195 -0.2030319 -0.1172195 -0.5470986 -0.287123 -0.2030319 -0.287123 -0.8786454 -0.4642184 -0.1172195 0.2030319 -0.1172195 -0.5470986 0.287123 0.2030319 0.287123 -0.8786454 -1.1273034 0.0000092 0. 0.0000092 -0.3813295 0. 0. 0. -0.3813295 112.0438711|0.|112.0438711|0.|0.|112.0438711 -0.000000000 -0.000000000 0.000000000 -0.000001114 0.000003150 0.000000000 -0.000001114 -0.000001575 -0.000002728 -0.000001114 -0.000001575 0.000002728 0.000003341 -0.000000000 -0.000000000 438.32599999999996 AuxInfo=1/1/N:2;3;4;5;1/rA:5SnBrBrBrBr/rB:s1;s1;s1;s1;/rC:;;;;;