F C IN CART COORS (HARTREES/BOHR). ethanol, land1dz 1 2 3 4 5 1 0.563541E-01 2 0.000000E+00 0.320950E-02 3 0.114106E-01 0.000000E+00 0.593130E+00 4 -0.519374E-01 0.000000E+00 -0.238163E-01 0.355488E+00 5 0.000000E+00 -0.199845E-02 0.000000E+00 0.000000E+00 0.478522E-01 6 0.385019E-01 0.000000E+00 -0.585191E+00 0.899012E-01 0.000000E+00 7 0.154294E-02 0.000000E+00 0.153268E-01 -0.228934E+00 0.000000E+00 8 0.000000E+00 -0.288412E-03 0.000000E+00 0.000000E+00 -0.701007E-01 9 -0.467879E-01 0.000000E+00 -0.106019E-01 -0.257957E-01 0.000000E+00 10 -0.809167E-02 0.000000E+00 -0.505156E-02 -0.534682E-02 0.000000E+00 11 0.000000E+00 -0.210292E-03 0.000000E+00 0.000000E+00 0.380573E-02 12 -0.131137E-02 0.000000E+00 -0.314401E-03 -0.228158E-02 0.000000E+00 13 0.834725E-03 0.000000E+00 0.407256E-03 0.113512E-02 0.000000E+00 14 0.000000E+00 0.763810E-03 0.000000E+00 0.000000E+00 0.807012E-03 15 -0.216127E-02 0.000000E+00 -0.678312E-03 0.108120E-02 0.000000E+00 16 -0.445404E-04 -0.216194E-04 0.667719E-04 0.119131E-02 0.961099E-03 17 0.321923E-03 0.495341E-04 -0.136825E-03 0.118882E-02 0.507459E-03 18 0.130723E-03 0.455044E-04 0.666576E-03 -0.733543E-04 -0.181674E-02 19 -0.445404E-04 0.216194E-04 0.667718E-04 0.119132E-02 -0.961099E-03 20 -0.321923E-03 0.495341E-04 0.136825E-03 -0.118884E-02 0.507459E-03 21 0.130723E-03 -0.455044E-04 0.666576E-03 -0.733601E-04 0.181674E-02 22 0.693396E-03 0.110178E-02 0.794799E-03 -0.363939E-01 0.280204E-01 23 0.675268E-03 -0.787453E-03 0.641555E-03 -0.124804E-02 0.930949E-02 24 0.430867E-04 0.100657E-02 0.116101E-02 -0.194708E-01 0.142263E-01 25 0.693396E-03 -0.110178E-02 0.794799E-03 -0.363939E-01 -0.280204E-01 26 -0.675268E-03 -0.787453E-03 -0.641555E-03 0.124803E-02 0.930949E-02 27 0.430867E-04 -0.100657E-02 0.116101E-02 -0.194708E-01 -0.142263E-01 6 7 8 9 10 6 0.727795E+00 7 -0.775370E-01 0.566974E+00 8 0.000000E+00 0.000000E+00 0.684035E+00 9 -0.125093E+00 -0.593915E-01 0.000000E+00 0.595936E+00 10 -0.538418E-01 -0.962871E-01 0.000000E+00 0.439462E-01 0.662511E+00 11 0.000000E+00 0.000000E+00 -0.101861E+00 0.000000E+00 0.000000E+00 12 -0.235757E-01 0.243073E-01 0.000000E+00 -0.241447E+00 0.864795E-02 13 0.124343E-02 0.378323E-02 0.000000E+00 0.685548E-02 -0.285160E+00 14 0.000000E+00 0.000000E+00 -0.121012E-02 0.000000E+00 0.000000E+00 15 -0.105350E-01 -0.376507E-01 0.000000E+00 -0.996610E-02 -0.110954E+00 16 -0.177827E-03 -0.256500E-02 -0.484591E-02 -0.103924E-02 -0.134565E+00 17 0.279279E-03 0.144272E-03 0.149621E-02 -0.449033E-02 -0.120726E+00 18 0.363572E-02 0.231728E-01 0.365935E-01 -0.146877E-01 0.391859E-01 19 -0.177804E-03 -0.256500E-02 0.484591E-02 -0.103925E-02 -0.134565E+00 20 -0.279308E-03 -0.144277E-03 0.149621E-02 0.449033E-02 0.120726E+00 21 0.363571E-02 0.231728E-01 -0.365935E-01 -0.146877E-01 0.391859E-01 22 0.104392E-02 -0.120974E+00 0.103590E+00 0.416259E-01 0.752330E-03 23 0.180189E-02 0.109458E+00 -0.256783E+00 -0.698037E-01 -0.155391E-02 24 0.466375E-02 0.442999E-01 -0.682351E-01 -0.897266E-01 0.194406E-01 25 0.104392E-02 -0.120974E+00 -0.103590E+00 0.416259E-01 0.752330E-03 26 -0.180190E-02 -0.109458E+00 -0.256783E+00 0.698037E-01 0.155391E-02 27 0.466376E-02 0.442999E-01 0.682351E-01 -0.897266E-01 0.194406E-01 11 12 13 14 15 11 0.660875E+00 12 0.000000E+00 0.567340E+00 13 0.000000E+00 -0.115997E+00 0.310226E+00 14 -0.590192E-01 0.000000E+00 0.000000E+00 0.556384E-01 15 0.000000E+00 -0.118687E+00 0.127748E+00 0.000000E+00 0.126445E+00 16 -0.120488E+00 0.432499E-01 -0.159658E-01 -0.282494E-01 0.103656E-01 17 -0.254193E+00 0.680706E-01 0.236029E-02 0.158681E-02 -0.288853E-03 18 0.632115E-01 -0.799062E-01 -0.919752E-02 -0.153740E-01 0.542002E-02 19 0.120488E+00 0.432499E-01 -0.159657E-01 0.282494E-01 0.103657E-01 20 -0.254193E+00 -0.680706E-01 -0.236027E-02 0.158681E-02 0.288875E-03 21 -0.632115E-01 -0.799062E-01 -0.919753E-02 0.153740E-01 0.542000E-02 22 0.356003E-02 0.676018E-04 0.556280E-03 -0.129663E-03 0.602617E-03 23 0.239764E-02 0.353080E-02 -0.392490E-03 -0.767777E-04 -0.100868E-02 24 -0.343543E-01 -0.117518E-01 -0.930812E-03 0.166441E-03 0.129082E-02 25 -0.356003E-02 0.676028E-04 0.556293E-03 0.129663E-03 0.602638E-03 26 0.239764E-02 -0.353079E-02 0.392496E-03 -0.767777E-04 0.100869E-02 27 0.343543E-01 -0.117518E-01 -0.930808E-03 -0.166441E-03 0.129083E-02 16 17 18 19 20 16 0.140570E+00 17 0.134290E+00 0.271755E+00 18 -0.478462E-01 -0.723324E-01 0.873622E-01 19 0.108731E-01 -0.177520E-01 -0.545236E-02 0.140570E+00 20 0.177520E-01 -0.238048E-01 -0.906155E-02 -0.134290E+00 0.271755E+00 21 -0.545236E-02 0.906155E-02 0.334399E-02 -0.478462E-01 0.723324E-01 22 -0.358855E-03 0.360248E-03 -0.240822E-03 0.864789E-03 0.187690E-03 23 0.164219E-03 0.124293E-02 -0.411628E-03 -0.437875E-03 0.135979E-02 24 0.102477E-03 0.702540E-03 0.199229E-02 0.730548E-03 0.865773E-03 25 0.864789E-03 -0.187690E-03 0.320919E-03 -0.358855E-03 -0.360248E-03 26 0.437875E-03 0.135979E-02 -0.854378E-03 -0.164219E-03 0.124293E-02 27 0.730548E-03 -0.865773E-03 -0.782677E-02 0.102477E-03 -0.702540E-03 21 22 23 24 25 21 0.873622E-01 22 0.320919E-03 0.143076E+00 23 0.854378E-03 -0.121678E+00 0.269074E+00 24 -0.782677E-02 -0.399317E-01 0.750086E-01 0.941403E-01 25 -0.240822E-03 0.117841E-01 0.150130E-01 -0.428329E-02 0.143076E+00 26 0.411628E-03 -0.150130E-01 -0.257369E-01 0.106132E-01 0.121678E+00 27 0.199229E-02 -0.428329E-02 -0.106132E-01 0.605708E-02 -0.399317E-01 26 27 26 0.269074E+00 27 -0.750086E-01 0.941403E-01