mem 1300 gb ( CALCULATION OF VIBRATION ENERGIES FOR XY4 MOLECULE ) ( CH4 new ab initio PES, 0.9 cm-1, all parameters ) KinOrder 6 (Max order in the kinetic energy expansion) PotOrder 8 (Max order in the potential energy expansion) Natoms 5 (Number of atoms) Nmodes 9 (Number of modes = 3*Natoms-6) (ACTIVE SPACE CUTOFFS:) PRIMITIVES Npolyads 14 (how many polyads we calculate) enercut 80000. (energy cut in the primitive matrix for the diagonalization) END CONTRACTION Npolyads 14 (how many polyads we calculate) enercut 25000. (energy cut in the primitive matrix for the diagonalization) degeneracy 1e-3 (threashold to define degeneracy) sample_points 300 coeff_thresh 1e-14 rotsym euler model j=0 END SYMGROUP Td(M) DIAGONALIZER SYEV enermax 18000 end dstep 5.e-3 COORDS local (type of the internal coordinates: linear or local) TRANSFORM R-SYM ( xi(chi): harmonic, linear, r-s-delta, r-s-rho, r-alpha-tau, see molecule.f90) MOLTYPE XY4 (Identifying type of the Molecule (e.g. XY3)) MOLECULE CH4 (Identifying the Molecule, e.g. PH3, BiH3 - optional) REFER-CONF RIGID (Reference configuarion: RIGID or NON-RIGID) ZMAT C 0 0 0 0 12.000000000 H 1 0 0 0 1.007825035 H 1 2 0 0 1.007825035 H 1 2 3 0 1.007825035 H 1 2 3 4 1.007825035 end (type chi_kin chi_pot) BASIS 0,'JKtau', Jrot 0 1,'numerov','linear', 'morse', r 8, range 0, 7, resc 2.0, points 2000, borders -0.45,0.9 1,'numerov','linear', 'morse', r 8, range 0, 7, resc 2.0, points 2000, borders -0.45,0.9 1,'numerov','linear', 'morse', r 8, range 0, 7, resc 2.0, points 2000, borders -0.45,0.9 1,'numerov','linear', 'morse', r 8, range 0, 7, resc 2.0, points 2000, borders -0.45,0.9 2,'harmonic','linear', 'linear',r 2, range 0,14, resc 1.0, points 4000, borders -2.10,2.10 post 2,'harmonic','linear', 'linear',r 2, range 0,14, resc 1.0, points 4000, borders -2.10,2.10 post 3,'harmonic','linear', 'linear',r 2, range 0,14, resc 1.0, points 8000, borders -2.20,2.20 post 3,'harmonic','linear', 'linear',r 2, range 0,14, resc 1.0, points 8000, borders -2.20,2.20 post 3,'harmonic','linear', 'linear',r 2, range 0,14, resc 1.0, points 8000, borders -2.20,2.20 post END verbose 4 CHECK_POINT hamiltonian none kinetic read potential read external none basis_set read contr_ci read CONTRACT read matelem read split extmatelem read EIGENFUNC read END sparse INTENSITY absorption exomol symmetry reduced linelist i-CH4_P14_step4_tm3_12K_a17j_20_7_18022_18363 wallclock 44.00 (h) THRESH_INTES 1e-70 THRESH_LINE 1e-16 THRESH_COEFF 1e-12 TEMPERATURE 3000.0 QSTAT 50000 GNS 5.0 5.0 2.0 3.0 3.0 selection (rules) 1 1 2 3 3 J, 20, 21 freq-window 0,12000 energy low 0.0000,10000.00, upper -0.00,18000.0 count 18022 18363 END (sparse) EQUILIBRIUM Re 0 1.0859638364 Re 0 1.0859638364 Re 0 1.0859638364 Re 0 1.0859638364 alphae 0 1.9106332362490185563277142050315d0 alphae 0 1.9106332362490185563277142050315d0 alphae 0 1.9106332362490185563277142050315d0 alphae 0 1.9106332362490185563277142050315d0 alphae 0 1.9106332362490185563277142050315d0 alphae 0 1.9106332362490185563277142050315d0 end SPECPARAM betar 0 1.845 betar 0 1.845 betar 0 1.845 betar 0 1.845 END POTEN POT_TYPE general compact COEFF powers (powers or list) re 1 0 0 0 0 0 0 0 0 0 0.10859638364000E+01 a0 2 1 0 0 0 0 0 0 0 0 0.18450000000000E+01 f000000000 3 0 0 0 0 0 0 0 0 0 0.00000000000000E+00 f100000000 4 0 0 0 0 0 0 0 0 0 0.43141069937976E+01 f000000200 5 0 0 0 0 0 0 2 0 0 0.13361306231300E+05 f000020000 6 0 0 0 0 2 0 0 0 0 0.14513674906543E+05 f000100100 7 0 0 0 1 0 0 1 0 0 0.28425912225345E+04 f011000000 8 0 1 1 0 0 0 0 0 0 0.35221935136193E+03 f020000000 9 0 2 0 0 0 0 0 0 0 0.40067820471441E+05 f000000111 10 0 0 0 0 0 0 1 1 1 0.14293352088236E+05 f000001200 11 0 0 0 0 0 1 2 0 0 -0.76715256243615E+04 f000030000 12 1 0 0 0 3 0 0 0 0 0.71756408571033E+03 f001010100 13 1 0 1 0 1 0 1 0 0 -0.12297545279467E+04 f100000110 14 1 0 0 0 0 0 1 1 0 -0.10987184071201E+04 f100000200 15 1 0 0 0 0 0 2 0 0 -0.15514965333686E+04 f100020000 16 1 0 0 0 2 0 0 0 0 -0.17150176853763E+04 f110000001 17 1 1 0 0 0 0 0 0 1 0.20707328173023E+04 f110010000 18 2 1 0 0 1 0 0 0 0 -0.27885780590211E+04 f110100000 19 2 1 0 1 0 0 0 0 0 0.15035538936076E+03 f200000010 20 3 0 0 0 0 0 0 1 0 -0.18949580544229E+04 f210000000 21 0 1 0 0 0 0 0 0 0 0.40447864126736E+03 f300000000 22 0 0 0 0 0 0 0 0 0 -0.17130939833091E+04 f000000022 23 0 0 0 0 0 0 0 2 2 0.82923653305245E+04 f000000040 24 0 0 0 0 0 0 0 4 0 0.99145837072254E+03 f000011200 25 0 0 0 0 1 1 2 0 0 0.43483398020662E+04 f000020200 26 0 0 0 0 2 0 2 0 0 0.36143241175365E+04 f000040000 27 0 0 0 0 4 0 0 0 0 0.34227709990010E+03 f002200000 28 0 0 2 2 0 0 0 0 0 0.13691172232585E+03 f003000010 29 1 0 3 0 0 0 0 1 0 0.16269066831655E+04 f040000000 30 1 4 0 0 0 0 0 0 0 0.41138742404026E+04 f100000111 31 1 0 0 0 0 0 1 1 1 -0.12630282671269E+05 f100000210 32 1 0 0 0 0 0 2 1 0 -0.94331672382248E+03 f100000300 33 1 0 0 0 0 0 3 0 0 -0.69925752905242E+03 f100001200 34 1 0 0 0 0 1 2 0 0 0.68416785132902E+03 f100010110 35 1 0 0 0 1 0 1 1 0 -0.96596160045711E+03 f100011100 36 1 0 0 0 1 1 1 0 0 0.00000000000000E+00 f100020100 37 1 0 0 0 2 0 1 0 0 -0.66844215396117E+03 f100030000 38 1 0 0 0 3 0 0 0 0 -0.15216970104116E+03 f100100020 39 1 0 0 1 0 0 0 2 0 0.12415435245071E+04 f100100101 40 1 0 0 1 0 0 1 0 1 0.00000000000000E+00 f100100200 41 1 0 0 1 0 0 2 0 0 0.68637833767673E+02 f100102000 42 1 0 0 1 0 2 0 0 0 0.81223280942800E+03 f101011000 43 1 0 1 0 1 1 0 0 0 -0.85956864423488E+03 f110010001 44 1 1 0 0 1 0 0 0 1 -0.25702793595620E+04 f111000100 45 1 1 1 0 0 0 1 0 0 0.00000000000000E+00 f111100000 46 1 1 1 1 0 0 0 0 0 0.00000000000000E+00 f120000001 47 1 2 0 0 0 0 0 0 1 0.13182288226440E+04 f120000100 48 1 2 0 0 0 0 1 0 0 0.00000000000000E+00 f120010000 49 1 2 0 0 1 0 0 0 0 -0.82723614431666E+03 f121000000 50 2 2 1 0 0 0 0 0 0 0.00000000000000E+00 f130000000 51 2 3 0 0 0 0 0 0 0 -0.28577875917156E+03 f200000110 52 2 0 0 0 0 0 1 1 0 -0.82993226427298E+03 f200000200 53 2 0 0 0 0 0 2 0 0 -0.21596271150862E+04 f200002000 54 0 0 0 0 0 2 0 0 0 -0.14721591916698E+04 f200010001 55 0 0 0 0 1 0 0 0 1 0.22059723135254E+04 f000000311 56 0 0 0 0 0 0 3 1 1 0.24751342701792E+05 f000001400 57 0 0 0 0 0 1 4 0 0 0.31847277870596E+03 f000003200 58 0 0 0 0 0 3 2 0 0 -0.15083742801053E+04 f000010220 59 0 0 0 0 1 0 2 2 0 -0.17505048079755E+04 f000020111 60 0 0 0 0 2 0 1 1 1 0.23732402610823E+05 f000030200 61 0 0 0 0 3 0 2 0 0 0.16721472089788E+04 f000050000 62 0 0 0 0 5 0 0 0 0 0.00000000000000E+00 f010010210 63 0 1 0 0 1 0 2 1 0 0.56360619249731E+03 f010011101 64 0 1 0 0 1 1 1 0 1 0.00000000000000E+00 f010011200 65 0 1 0 0 1 1 2 0 0 -0.50104963404695E+03 f010020110 66 0 1 0 0 2 0 1 1 0 -0.17824952365250E+04 f010020200 67 0 1 0 0 2 0 2 0 0 0.00000000000000E+00 f010021100 68 0 1 0 0 2 1 1 0 0 0.00000000000000E+00 f010030001 69 0 1 0 0 3 0 0 0 1 0.00000000000000E+00 f010040000 70 0 1 0 0 4 0 0 0 0 0.52633657019638E+02 f010100111 71 0 1 0 1 0 0 1 1 1 0.00000000000000E+00 f010100120 72 0 1 0 1 0 0 1 2 0 0.00000000000000E+00 f010100300 73 0 1 0 1 0 0 3 0 0 0.00000000000000E+00 f010101020 74 0 1 0 1 0 1 0 2 0 0.00000000000000E+00 f010110011 75 0 1 0 1 1 0 0 1 1 0.00000000000000E+00 f010110020 76 0 1 0 1 1 0 0 2 0 0.34512194382099E+03 f010110200 77 0 1 0 1 1 0 2 0 0 0.23810117788391E+03 f010111100 78 0 1 0 1 1 1 1 0 0 0.23348419715618E+04 f010112000 79 0 1 0 1 1 2 0 0 0 0.00000000000000E+00 f010120100 80 0 1 0 1 2 0 1 0 0 0.00000000000000E+00 f010121000 81 0 1 0 1 2 1 0 0 0 0.00000000000000E+00 f010200011 82 0 1 0 2 0 0 0 1 1 0.00000000000000E+00 f010200020 83 0 1 0 2 0 0 0 2 0 0.00000000000000E+00 f010200110 84 0 1 0 2 0 0 1 1 0 0.00000000000000E+00 f010200200 85 0 1 0 2 0 0 2 0 0 0.62594691822417E+03 f010201010 86 0 1 0 2 0 1 0 1 0 0.00000000000000E+00 f010202000 87 0 1 0 2 0 2 0 0 0 0.00000000000000E+00 f010210010 88 0 1 0 2 1 0 0 1 0 0.00000000000000E+00 f011100110 89 0 1 1 1 0 0 1 1 0 0.00000000000000E+00 f011100200 90 0 1 1 1 0 0 2 0 0 0.00000000000000E+00 f011120000 91 0 1 1 1 2 0 0 0 0 0.00000000000000E+00 f012011000 92 0 1 2 0 1 1 0 0 0 0.00000000000000E+00 f012100100 93 0 1 2 1 0 0 1 0 0 0.00000000000000E+00 f012101000 94 0 1 2 1 0 1 0 0 0 0.00000000000000E+00 f012200000 95 0 1 2 2 0 0 0 0 0 0.00000000000000E+00 f013000010 96 0 1 3 0 0 0 0 1 0 0.00000000000000E+00 f013000100 97 0 1 3 0 0 0 1 0 0 0.00000000000000E+00 f013001000 98 0 1 3 0 0 1 0 0 0 0.00000000000000E+00 f013100000 99 0 1 3 1 0 0 0 0 0 0.00000000000000E+00 f014000000 100 0 1 4 0 0 0 0 0 0 0.00000000000000E+00 f020000111 101 0 2 0 0 0 0 1 1 1 0.86574403646419E+04 f020000210 102 0 2 0 0 0 0 2 1 0 0.58124795636139E+02 f020000300 103 0 2 0 0 0 0 3 0 0 0.98784564786052E+03 f020010110 104 0 2 0 0 1 0 1 1 0 -0.35612412183670E+04 f020010200 105 0 2 0 0 1 0 2 0 0 -0.20093954480359E+03 f020011100 106 0 2 0 0 1 1 1 0 0 0.45272720861420E+02 f020020001 107 0 2 0 0 2 0 0 0 1 -0.64860189376382E+03 f020030000 108 0 2 0 0 3 0 0 0 0 0.00000000000000E+00 f021001010 109 0 2 1 0 0 1 0 1 0 -0.11490248843687E+04 f022000010 110 0 2 2 0 0 0 0 1 0 0.00000000000000E+00 f022001000 111 0 2 2 0 0 1 0 0 0 0.00000000000000E+00 f030000110 112 0 3 0 0 0 0 1 1 0 0.00000000000000E+00 f030000200 113 0 3 0 0 0 0 2 0 0 -0.18516982934802E+04 f030001100 114 0 3 0 0 0 1 1 0 0 -0.18461249943173E+04 f030020000 115 0 3 0 0 2 0 0 0 0 -0.57653795907719E+03 f032000000 116 0 3 2 0 0 0 0 0 0 0.00000000000000E+00 f040000100 117 1 4 0 0 0 0 1 0 0 0.19329906357495E+04 f050000000 118 1 5 0 0 0 0 0 0 0 0.16301129822246E+04 f100000211 119 1 0 0 0 0 0 2 1 1 -0.39242346981291E+04 f100000220 120 1 0 0 0 0 0 2 2 0 -0.19447435659156E+04 f100000310 121 1 0 0 0 0 0 3 1 0 -0.16899834554365E+04 f100000400 122 1 0 0 0 0 0 4 0 0 -0.13708750303240E+03 f100001210 123 1 0 0 0 0 1 2 1 0 0.87639629913049E+03 f100001300 124 2 0 0 0 0 1 3 0 0 0.00000000000000E+00 f110101100 125 2 1 0 1 0 1 1 0 0 0.00000000000000E+00 f210100010 126 0 1 0 1 0 0 0 1 0 0.00000000000000E+00 f211100000 127 0 1 1 1 0 0 0 0 0 0.00000000000000E+00 f000000024 128 0 0 0 0 0 0 0 2 4 0.76721115585595E+04 f000000060 129 0 0 0 0 0 0 0 6 0 -0.29339962408422E+03 f000000222 130 0 0 0 0 0 0 2 2 2 0.64175331717345E+05 f000002220 131 0 0 0 0 0 2 2 2 0 0.95756226720464E+04 f000006000 132 0 0 0 0 0 6 0 0 0 0.00000000000000E+00 f000010131 133 0 0 0 0 1 0 1 3 1 -0.12405083888719E+04 f000011202 134 0 0 0 0 1 1 2 0 2 0.17339617334011E+04 f000011400 135 0 0 0 0 1 1 4 0 0 0.56147838953877E+03 f000012111 136 0 0 0 0 1 2 1 1 1 -0.20612793961467E+05 f000020400 137 0 0 0 0 2 0 4 0 0 0.59809735118528E+03 f000022200 138 0 0 0 0 2 2 2 0 0 0.88716584178118E+03 f000031200 139 0 0 0 0 3 1 2 0 0 0.13883883900663E+04 f000040020 140 0 0 0 0 4 0 0 2 0 0.88292295377320E+03 f000060000 141 0 0 0 0 6 0 0 0 0 0.15534969320816E+02 f000100032 142 0 0 0 1 0 0 0 3 2 0.00000000000000E+00 f000100212 143 0 0 0 1 0 0 2 1 2 -0.14828378173753E+05 f000100311 144 0 0 0 1 0 0 3 1 1 0.25162470113053E+05 f000100410 145 0 0 0 1 0 0 4 1 0 0.00000000000000E+00 f000100500 146 0 0 0 1 0 0 5 0 0 0.00000000000000E+00 f000101130 147 0 0 0 1 0 1 1 3 0 0.45417084968214E+04 f000110112 148 0 0 0 1 1 0 1 1 2 0.00000000000000E+00 f000110400 149 0 0 0 1 1 0 4 0 0 0.00000000000000E+00 f000400101 150 0 0 0 4 0 0 1 0 1 0.00000000000000E+00 f001010220 151 0 0 1 0 1 0 2 2 0 0.49906591011346E+04 f001010310 152 0 0 1 0 1 0 3 1 0 0.00000000000000E+00 f001011102 153 0 0 1 0 1 1 1 0 2 0.00000000000000E+00 f001013100 154 0 0 1 0 1 3 1 0 0 0.18954110268104E+04 f002020110 155 0 0 2 0 2 0 1 1 0 0.00000000000000E+00 f002040000 156 0 0 2 0 4 0 0 0 0 0.00000000000000E+00 f002100030 157 0 0 2 1 0 0 0 3 0 0.00000000000000E+00 f002100102 158 0 0 2 1 0 0 1 0 2 0.00000000000000E+00 f002100111 159 0 0 2 1 0 0 1 1 1 0.00000000000000E+00 f002100120 160 0 0 2 1 0 0 1 2 0 0.00000000000000E+00 f002100201 161 0 0 2 1 0 0 2 0 1 0.00000000000000E+00 f002200002 162 0 0 2 2 0 0 0 0 2 0.00000000000000E+00 f002200020 163 0 0 2 2 0 0 0 2 0 0.00000000000000E+00 f003000021 164 0 0 3 0 0 0 0 2 1 0.00000000000000E+00 f003000030 165 0 0 3 0 0 0 0 3 0 0.60000899390000E+03 f003000111 166 0 0 3 0 0 0 1 1 1 0.00000000000000E+00 f003001020 167 0 0 3 0 0 1 0 2 0 0.25498527828945E+03 f004001100 168 0 0 4 0 0 1 1 0 0 0.50787712124066E+03 f010011021 169 0 1 0 0 1 1 0 2 1 0.00000000000000E+00 f010011030 170 0 1 0 0 1 1 0 3 0 -0.12815806706078E+02 f010012020 171 0 1 0 0 1 2 0 2 0 0.00000000000000E+00 f010012101 172 0 1 0 0 1 2 1 0 1 0.00000000000000E+00 f010100202 173 0 1 0 1 0 0 2 0 2 0.00000000000000E+00 f011011200 174 0 1 1 0 1 1 2 0 0 0.00000000000000E+00 f011020200 175 0 1 1 0 2 0 2 0 0 0.00000000000000E+00 f012001200 176 0 1 2 0 0 1 2 0 0 0.00000000000000E+00 f015000000 177 0 1 5 0 0 0 0 0 0 0.00000000000000E+00 f020111001 178 0 2 0 1 1 1 0 0 1 0.00000000000000E+00 f020111010 179 0 2 0 1 1 1 0 1 0 0.00000000000000E+00 f021100002 180 1 2 1 1 0 0 0 0 2 0.00000000000000E+00 f021100011 181 1 2 1 1 0 0 0 1 1 0.00000000000000E+00 f100002111 182 1 0 0 0 0 2 1 1 1 0.00000000000000E+00 f100002210 183 1 0 0 0 0 2 2 1 0 -0.29996653992646E+04 f100002300 184 1 0 0 0 0 2 3 0 0 -0.32727531094720E+03 f100003101 185 1 0 0 0 0 3 1 0 1 0.00000000000000E+00 f100003200 186 1 0 0 0 0 3 2 0 0 0.00000000000000E+00 f100004100 187 1 0 0 0 0 4 1 0 0 0.00000000000000E+00 f100031100 188 1 0 0 0 3 1 1 0 0 0.00000000000000E+00 f100050000 189 1 0 0 0 5 0 0 0 0 0.00000000000000E+00 f100111020 190 1 0 0 1 1 1 0 2 0 0.00000000000000E+00 f100111101 191 1 0 0 1 1 1 1 0 1 0.00000000000000E+00 f100120101 192 1 0 0 1 2 0 1 0 1 0.00000000000000E+00 f100131000 193 1 0 0 1 3 1 0 0 0 0.00000000000000E+00 f100200030 194 1 0 0 2 0 0 0 3 0 0.00000000000000E+00 f100201110 195 1 0 0 2 0 1 1 1 0 0.00000000000000E+00 f100202001 196 1 0 0 2 0 2 0 0 1 0.00000000000000E+00 f100210002 197 1 0 0 2 1 0 0 0 2 0.00000000000000E+00 f100210020 198 1 0 0 2 1 0 0 2 0 0.00000000000000E+00 f100210110 199 1 0 0 2 1 0 1 1 0 0.00000000000000E+00 f100220010 200 1 0 0 2 2 0 0 1 0 0.00000000000000E+00 f100230000 201 1 0 0 2 3 0 0 0 0 0.00000000000000E+00 f100300002 202 1 0 0 3 0 0 0 0 2 0.00000000000000E+00 f100300011 203 1 0 0 3 0 0 0 1 1 0.00000000000000E+00 f100300020 204 1 0 0 3 0 0 0 2 0 0.00000000000000E+00 f100300101 205 1 0 0 3 0 0 1 0 1 0.00000000000000E+00 f100301001 206 1 0 0 3 0 1 0 0 1 0.00000000000000E+00 f100310001 207 1 0 0 3 1 0 0 0 1 0.00000000000000E+00 f100311000 208 1 0 0 3 1 1 0 0 0 0.00000000000000E+00 f100320000 209 1 0 0 3 2 0 0 0 0 0.00000000000000E+00 f100400010 210 1 0 0 4 0 0 0 1 0 0.00000000000000E+00 f100400100 211 1 0 0 4 0 0 1 0 0 0.00000000000000E+00 f100401000 212 1 0 0 4 0 1 0 0 0 0.00000000000000E+00 f101000004 213 1 0 1 0 0 0 0 0 4 0.00000000000000E+00 f101000013 214 1 0 1 0 0 0 0 1 3 0.00000000000000E+00 f101000022 215 1 0 1 0 0 0 0 2 2 0.00000000000000E+00 f101000211 216 1 0 1 0 0 0 2 1 1 0.00000000000000E+00 f101000400 217 1 0 1 0 0 0 4 0 0 0.00000000000000E+00 f101003100 218 1 0 1 0 0 3 1 0 0 0.00000000000000E+00 f101020200 219 1 0 1 0 2 0 2 0 0 0.00000000000000E+00 f101022000 220 1 0 1 0 2 2 0 0 0 0.00000000000000E+00 f101100111 221 1 0 1 1 0 0 1 1 1 0.00000000000000E+00 f101110110 222 1 0 1 1 1 0 1 1 0 0.00000000000000E+00 f101110200 223 1 0 1 1 1 0 2 0 0 0.00000000000000E+00 f101120100 224 1 0 1 1 2 0 1 0 0 0.00000000000000E+00 f101130000 225 1 0 1 1 3 0 0 0 0 0.00000000000000E+00 f101210100 226 1 0 1 2 1 0 1 0 0 0.00000000000000E+00 f101220000 227 1 0 1 2 2 0 0 0 0 0.00000000000000E+00 f102003000 228 1 0 2 0 0 3 0 0 0 0.00000000000000E+00 f110001201 229 1 1 0 0 0 1 2 0 1 0.00000000000000E+00 f110010003 230 1 1 0 0 1 0 0 0 3 0.00000000000000E+00 f110010111 231 1 1 0 0 1 0 1 1 1 0.00000000000000E+00 f110010201 232 1 1 0 0 1 0 2 0 1 0.00000000000000E+00 f110011200 233 1 1 0 0 1 1 2 0 0 0.00000000000000E+00 f110030001 234 1 1 0 0 3 0 0 0 1 0.00000000000000E+00 f110040000 235 1 1 0 0 4 0 0 0 0 0.00000000000000E+00 f110100003 236 1 1 0 1 0 0 0 0 3 0.00000000000000E+00 f110100012 237 1 1 0 1 0 0 0 1 2 0.00000000000000E+00 f111011100 238 1 1 1 0 1 1 1 0 0 0.00000000000000E+00 f111100200 239 2 1 1 1 0 0 2 0 0 0.00000000000000E+00 f111120000 240 2 1 1 1 2 0 0 0 0 0.00000000000000E+00 f200000040 241 2 0 0 0 0 0 0 4 0 0.00000000000000E+00 f200000211 242 2 0 0 0 0 0 2 1 1 0.00000000000000E+00 f200000220 243 2 0 0 0 0 0 2 2 0 0.65523545292261E+03 f200000310 244 2 0 0 0 0 0 3 1 0 0.00000000000000E+00 f200001210 245 2 0 0 0 0 1 2 1 0 0.00000000000000E+00 f200001300 246 2 0 0 0 0 1 3 0 0 -0.65551344235187E+03 f200010210 247 2 0 0 0 1 0 2 1 0 0.00000000000000E+00 f200011101 248 2 0 0 0 1 1 1 0 1 0.00000000000000E+00 f200011200 249 2 0 0 0 1 1 2 0 0 -0.14859745130531E+04 f200012100 250 2 0 0 0 1 2 1 0 0 0.00000000000000E+00 f200020200 251 2 0 0 0 2 0 2 0 0 0.00000000000000E+00 f200021100 252 2 0 0 0 2 1 1 0 0 0.00000000000000E+00 f201011100 253 2 0 1 0 1 1 1 0 0 0.00000000000000E+00 f202011000 254 2 0 2 0 1 1 0 0 0 0.00000000000000E+00 f210010110 255 2 1 0 0 1 0 1 1 0 0.00000000000000E+00 f211000101 256 2 1 1 0 0 0 1 0 1 0.00000000000000E+00 f211000200 257 2 1 1 0 0 0 2 0 0 0.00000000000000E+00 f211001100 258 2 1 1 0 0 1 1 0 0 0.00000000000000E+00 f211010100 259 2 1 1 0 1 0 1 0 0 0.00000000000000E+00 f211011000 260 2 1 1 0 1 1 0 0 0 0.00000000000000E+00 f211100100 261 2 1 1 1 0 0 1 0 0 0.00000000000000E+00 f220000110 262 2 2 0 0 0 0 1 1 0 0.00000000000000E+00 f220010001 263 2 2 0 0 1 0 0 0 1 0.00000000000000E+00 f220020000 264 2 2 0 0 2 0 0 0 0 0.00000000000000E+00 f220100001 265 2 2 0 1 0 0 0 0 1 0.00000000000000E+00 f220100010 266 2 2 0 1 0 0 0 1 0 0.00000000000000E+00 f221010000 267 2 2 1 0 1 0 0 0 0 0.00000000000000E+00 f221100000 268 3 2 1 1 0 0 0 0 0 0.00000000000000E+00 f222000000 269 3 2 2 0 0 0 0 0 0 0.00000000000000E+00 f300010110 270 3 0 0 0 1 0 1 1 0 0.00000000000000E+00 f300011100 271 3 0 0 0 1 1 1 0 0 0.00000000000000E+00 f300020100 272 3 0 0 0 2 0 1 0 0 0.00000000000000E+00 f300030000 273 3 0 0 0 3 0 0 0 0 0.00000000000000E+00 f300300000 274 3 0 0 3 0 0 0 0 0 0.00000000000000E+00 f301001100 275 3 0 1 0 0 1 1 0 0 0.00000000000000E+00 f301100001 276 3 0 1 1 0 0 0 0 1 0.00000000000000E+00 f301100100 277 3 0 1 1 0 0 1 0 0 0.00000000000000E+00 f301110000 278 3 0 1 1 1 0 0 0 0 0.00000000000000E+00 f302000010 279 3 0 2 0 0 0 0 1 0 0.00000000000000E+00 f302000100 280 3 0 2 0 0 0 1 0 0 0.00000000000000E+00 f302001000 281 3 0 2 0 0 1 0 0 0 0.00000000000000E+00 f302100000 282 3 0 2 1 0 0 0 0 0 0.00000000000000E+00 f311100000 283 3 1 1 1 0 0 0 0 0 0.00000000000000E+00 f400000200 284 4 0 0 0 0 0 2 0 0 0.93111697488928E+04 f400020000 285 4 0 0 0 2 0 0 0 0 -0.42959719661155E+04 f402000000 286 4 0 2 0 0 0 0 0 0 0.00000000000000E+00 f411000000 287 4 1 1 0 0 0 0 0 0 0.00000000000000E+00 f500000100 288 5 0 0 0 0 0 1 0 0 0.47581945765987E+04 f600000000 289 6 0 0 0 0 0 0 0 0 -0.33006053843969E+04 end DIPOLE rank 3 NPARAM 265 0 0 DMS_TYPE general dstep 0.005 COEFF powers (powers or list) COORDS linear linear linear linear linear linear linear linear linear Order 6 6 6 parameters re 1 0 0 0 0 0 0 0 0 0 0 1.25600000 h000000001 2 0 0 0 0 0 0 0 0 1 4 0.19782627 h010000000 3 0 1 0 0 0 0 0 0 0 4 -0.46594482 h000000110 4 0 0 0 0 0 0 1 1 0 3 0.44197597 f000010100 5 0 0 0 0 1 0 1 0 0 3 -0.01031480 h020000000 6 0 2 0 0 0 0 0 0 0 3 -0.43271823 f100000100 7 1 0 0 0 0 0 1 0 0 3 -0.25115523 h100000100 8 1 0 0 0 0 0 1 0 0 3 -0.31303347 h100010000 9 1 0 0 0 1 0 0 0 0 3 -0.25640283 f101000000 10 1 0 1 0 0 0 0 0 0 3 0.23505514 g000000210 11 0 0 0 0 0 0 2 1 0 2 0.21617067 f000000300 12 0 0 0 0 0 0 3 0 0 3 0.13504285 h000010110 13 0 0 0 0 1 0 1 1 0 2 0.02415996 f000011100 14 0 0 0 0 1 1 1 0 0 2 -0.15157432 f000020100 15 0 0 0 0 2 0 1 0 0 2 0.13741265 h000100110 17 0 0 0 1 0 0 1 1 0 2 0.06471985 f000100200 18 0 0 0 1 0 0 2 0 0 2 0.00768357 h000100200 19 0 0 0 1 0 0 2 0 0 2 -0.24786129 f000101100 20 0 0 0 1 0 1 1 0 0 2 0.07431680 h000101100 21 0 0 0 1 0 1 1 0 0 2 -0.18797815 h000110100 22 0 0 0 1 1 0 1 0 0 2 0.12564425 f000111000 23 0 0 0 1 1 1 0 0 0 2 0.02503675 h000210000 24 0 0 0 2 1 0 0 0 0 2 -0.31934500 h000300000 25 0 0 0 3 0 0 0 0 0 3 0.27720568 h001100001 26 0 0 1 1 0 0 0 0 1 2 0.45653363 f001100100 27 0 0 1 1 0 0 1 0 0 2 0.03235899 g001100100 28 0 0 1 1 0 0 1 0 0 2 0.33049540 h001110000 29 0 0 1 1 1 0 0 0 0 2 0.64710501 g001200000 30 0 0 1 2 0 0 0 0 0 2 -0.24575122 h001200000 31 0 0 1 2 0 0 0 0 0 2 0.10069580 f002000010 32 0 0 2 0 0 0 0 1 0 2 -0.13938254 g002000010 33 0 0 2 0 0 0 0 1 0 2 -0.28219233 h101100000 35 1 0 1 1 0 0 0 0 0 2 0.06277470 h000000112 36 0 0 0 0 0 0 1 1 2 1 0.48873191 h000000130 37 0 0 0 0 0 0 1 3 0 2 0.03577118 f000001120 38 0 0 0 0 0 1 1 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0 0 2 1 0.25748288 g110000011 73 1 1 0 0 0 0 0 1 1 1 0.23334268 g110000101 75 1 1 0 0 0 0 1 0 1 1 -0.15976310 f110001100 77 1 1 0 0 0 1 1 0 0 9 0.05146123 h110002000 79 1 1 0 0 0 2 0 0 0 1 -0.09110144 h110010001 80 1 1 0 0 1 0 0 0 1 1 -0.42517018 f110010100 81 1 1 0 0 1 0 1 0 0 1 -0.16355913 g110010100 82 1 1 0 0 1 0 1 0 0 1 0.27104410 h111000010 85 1 1 1 0 0 0 0 1 0 9 -0.17115236 f200000200 89 2 0 0 0 0 0 2 0 0 1 -0.12928347 f200001100 90 2 0 0 0 0 1 1 0 0 1 0.21266812 g200002000 91 2 0 0 0 0 2 0 0 0 1 -0.13108548 h200010010 92 2 0 0 0 1 0 0 1 0 1 0.07094099 g200100001 95 2 0 0 1 0 0 0 0 1 9 -0.13845979 f210001000 100 2 1 0 0 0 1 0 0 0 9 -0.15929200 h300000001 104 3 0 0 0 0 0 0 0 1 2 -0.12792589 h000000203 105 0 0 0 0 0 0 2 0 3 9 0.55249560 h000000221 106 0 0 0 0 0 0 2 2 1 9 0.82324280 g000000410 107 0 0 0 0 0 0 4 1 0 9 0.10932482 f000000500 108 0 0 0 0 0 0 5 0 0 9 0.03718309 h000001310 109 0 0 0 0 0 1 3 1 0 9 -0.11847307 g000002012 110 0 0 0 0 0 2 0 1 2 9 0.35077124 f000004100 111 0 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