# Original parameters of Gasteiger and Marsili # a b c d formal_charge GASPARM h 7.17 6.24 -0.56 20.02 0.00 GASPARM c1 10.39 9.45 0.73 20.57 0.00 GASPARM c2 8.79 9.32 1.51 19.62 0.00 GASPARM c3 7.98 9.18 1.88 19.04 0.00 GASPARM cg 8.79 9.32 1.51 19.62 0.04 GASPARM n1 15.68 11.70 -0.27 27.11 0.00 GASPARM n2 12.87 11.15 0.85 24.87 0.00 GASPARM n3 11.54 10.82 1.36 23.72 0.00 GASPARM na 12.32 11.20 1.34 24.86 0.00 GASPARM na+ 12.32 11.20 1.34 24.86 1.00 GASPARM ng 12.32 11.20 1.34 24.86 0.32 GASPARM n4 0.00 11.86 11.86 23.72 1.00 GASPARM o2 17.07 13.79 0.47 31.33 0.00 GASPARM o3 14.18 12.92 1.39 28.49 0.00 GASPARM o-1 17.07 13.79 0.47 31.33 -1.00 GASPARM o-2 17.07 13.79 0.47 31.33 -0.50 GASPARM os 17.07 13.79 0.47 31.33 -1.00 GASPARM op# 17.07 13.79 0.47 31.33 -1.00 GASPARM op 17.07 13.79 0.47 31.33 -0.50 GASPARM op= 17.07 13.79 0.47 31.33 -0.67 GASPARM s 10.14 9.13 1.38 20.65 0.00 GASPARM s2 10.88 9.485 1.325 21.69 0.00 GASPARM s-1 10.88 9.485 1.325 21.69 -1.00 GASPARM s3 10.14 9.13 1.38 20.65 0.00 GASPARM so 10.14 9.13 1.38 20.65 1.00 GASPARM so1 12.00 10.805 1.195 24.00 1.00 GASPARM so2 12.00 10.805 1.195 24.00 2.00 GASPARM so3 12.00 10.805 1.195 24.00 3.00 GASPARM so4 12.00 10.805 1.195 24.00 4.00 GASPARM f 14.66 13.85 2.31 30.82 0.00 GASPARM cl 11.00 9.69 1.35 22.04 0.00 GASPARM br 10.08 8.47 1.16 19.71 0.00 GASPARM i 9.90 7.96 0.96 18.82 0.00 GASPARM p# 8.90 8.24 0.96 18.10 1.00 GASPARM p= 8.90 8.24 0.96 18.10 0.01 GASPARM pn 8.90 8.24 0.96 18.10 0.00 GASPARM p 8.90 8.24 0.96 18.10 0.00 # d = a+b+c (except h)