Dear molpro community,<br><br>I'm truing to run the following job:<br><br><br>_____________<br> memory, 350, m<br> geometry={angstrom<br> 1 H1,, -5.200924000 6.322530000 0.000000000<br> 2 H2,, -7.396092000 6.322530000 0.000000000<br>
3 N1,, -6.298508000 8.383553000 0.000000000<br> 4 N2,, -8.414731000 6.322530000 0.000000000<br> 5 N3,, -6.298508000 4.261507000 0.000000000<br> 6 N4,, -4.182285000 6.322530000 0.000000000<br>
7 C1,, -3.394911000 7.463601000 0.000000000<br> 8 C2,, -3.394911000 5.181459000 0.000000000<br> 9 C3,, -2.028483000 7.010485000 0.000000000<br> 10 C4,, -2.028483000 5.634575000 0.000000000<br>
11 H3,, -1.167694000 7.664589000 0.000000000<br> 12 H4,, -1.167694000 4.980471000 0.000000000<br> 13 C5,, -5.201182000 9.214382000 0.000000000<br> 14 C6,, -7.395834000 9.214382000 0.000000000<br>
15 C7,, -5.618433000 10.618908000 0.000000000<br> 16 C8,, -6.978583000 10.618908000 0.000000000<br> 17 H5,, -4.956729000 11.474697000 0.000000000<br> 18 H6,, -7.640287000 11.474697000 0.000000000<br>
19 C9,, -9.202105000 7.463601000 0.000000000<br> 20 C10,, -9.202105000 5.181459000 0.000000000<br> 21 C11,, -10.568533000 7.010485000 0.000000000<br> 22 C12,, -10.568533000 5.634575000 0.000000000<br>
23 H7,, -11.429322000 7.664589000 0.000000000<br> 24 H8,, -11.429322000 4.980471000 0.000000000<br> 25 C13,, -5.201182000 3.430678000 0.000000000<br> 26 C14,, -7.395834000 3.430678000 0.000000000<br>
27 C15,, -5.618433000 2.026152000 0.000000000<br> 28 C16,, -6.978583000 2.026152000 0.000000000<br> 29 H9,, -4.956729000 1.170363000 0.000000000<br> 30 H10,, -7.640287000 1.170363000 0.000000000<br>
31 C17,, -3.844276000 8.801808000 0.000000000<br> 32 C18,, -8.752740000 3.843252000 0.000000000<br> 33 C19,, -8.752740000 8.801808000 0.000000000<br> 34 C20,, -3.844276000 3.843252000 0.000000000<br>
35 C21,, -2.770103000 9.875121000 0.000000000<br> 36 C22,, -0.769020000 11.875540000 0.000000000<br> 37 C23,, -2.258237000 10.384869000 1.211166000<br> 38 C24,, -2.258237000 10.384869000 -1.211166000<br>
39 C25,, -1.267628000 11.377068000 1.210477000<br> 40 C26,, -1.267628000 11.377068000 -1.210477000<br> 41 H11,, 0.000000000 12.645060000 0.000000000<br> 42 H12,, -2.641588000 10.002670000 2.156302000<br>
43 H13,, -2.641588000 10.002670000 -2.156302000<br> 44 H14,, -0.887410000 11.759406000 2.156295000<br> 45 H15,, -0.887410000 11.759406000 -2.156295000<br> 46 C27,, -9.826913000 9.875121000 0.000000000<br>
47 C28,, -11.827996000 11.875540000 0.000000000<br> 48 C29,, -10.338779000 10.384869000 1.211166000<br> 49 C30,, -10.338779000 10.384869000 -1.211166000<br> 50 C31,, -11.329388000 11.377068000 1.210477000<br>
51 C32,, -11.329388000 11.377068000 -1.210477000<br> 52 H16,, -12.597016000 12.645060000 0.000000000<br> 53 H17,, -9.955428000 10.002670000 2.156302000<br> 54 H18,, -9.955428000 10.002670000 -2.156302000<br>
55 H19,, -11.709606000 11.759406000 2.156295000<br> 56 H20,, -11.709606000 11.759406000 -2.156295000<br> 57 C33,, -9.826913000 2.769939000 0.000000000<br> 58 C34,, -11.827996000 0.769520000 0.000000000<br>
59 C35,, -10.338779000 2.260191000 1.211166000<br> 60 C36,, -10.338779000 2.260191000 -1.211166000<br> 61 C37,, -11.329388000 1.267992000 1.210477000<br> 62 C38,, -11.329388000 1.267992000 -1.210477000<br>
63 H21,, -12.597016000 0.000000000 0.000000000<br> 64 H22,, -9.955428000 2.642390000 2.156302000<br> 65 H23,, -9.955428000 2.642390000 -2.156302000<br> 66 H24,, -11.709606000 0.885654000 2.156295000<br>
67 H25,, -11.709606000 0.885654000 -2.156295000<br> 68 C39,, -2.770103000 2.769939000 0.000000000<br> 69 C40,, -0.769020000 0.769520000 0.000000000<br> 70 C41,, -2.258237000 2.260191000 1.211166000<br>
71 C42,, -2.258237000 2.260191000 -1.211166000<br> 72 C43,, -1.267628000 1.267992000 1.210477000<br> 73 C44,, -1.267628000 1.267992000 -1.210477000<br> 74 N5,, 0.000000000 0.000000000 0.000000000<br>
75 H26,, -2.641588000 2.642390000 2.156302000<br> 76 H27,, -2.641588000 2.642390000 -2.156302000<br> 77 H28,, -0.887410000 0.885654000 2.156295000<br> 78 H29,, -0.887410000 0.885654000 -2.156295000<br>
79 C45,, 2.874096630 -1.998000840 -0.904264320<br> 80 C46,, 3.548363170 -3.311284450 -0.461148600<br> 81 N6,, 4.973026330 -3.293553040 -0.831403990<br> 82 C47,, 5.650342040 -2.165837870 -0.171517670<br>
83 C48,, 5.007671520 -0.838282450 -0.615971880<br> 84 O1,, 4.708776740 0.165456340 0.358565240<br> 85 H30,, 5.392834190 0.839215940 0.345867480<br> 86 C49,, 5.600868440 -4.554036290 -0.406214410<br>
87 C50,, 4.898326210 -5.737179490 -1.098960010<br> 88 O2,, 4.886216830 -5.810014900 -2.316956440<br> 89 O3,, 4.347192380 -6.798807150 -0.314386590<br> 90 H31,, 3.979503290 -7.469654740 -0.894792070<br>
91 N7,, 1.450462270 -2.022783590 -0.533300160<br> 92 C51,, 0.783244330 -3.155022130 -1.194214950<br> 93 C52,, -0.706107420 -3.172663630 -0.800788830<br> 94 O4,, -1.508954970 -2.494750150 -1.421038610<br>
95 O5,, -1.142500360 -3.957743180 0.312497560<br> 96 H32,, -1.621104560 -4.727192840 -0.005225210<br> 97 O6,, 4.942184510 -0.566144500 -1.803737250<br> 98 H33,, 6.695462410 -2.165279710 -0.446777600<br>
99 H34,, 5.560517410 -2.268670980 0.900578400<br> 100 H35,, 6.646250870 -4.546073900 -0.680328300<br> 101 H36,, 5.509738480 -4.658894230 0.665568020<br> 102 H37,, 3.456704710 -3.418412730 0.610415280<br>
103 H38,, 3.064094100 -4.144756470 -0.949410300<br> 104 H39,, 3.355447080 -1.163597260 -0.415653450<br> 105 H40,, 2.964708980 -1.890474540 -1.975866780<br> 106 H41,, 1.247608070 -4.079809320 -0.883351760<br>
107 H42,, 0.870855260 -3.049447130 -2.266223410<br> 108 C53,, 0.813591090 -0.766418800 -0.955391240<br> 109 O7,, 0.870798180 -0.417189230 -2.123168770<br> 110 H43,, 0.397386190 0.921079510 0.119023690<br>
}<br> basis=vtz<br> rks, b3lyp<br> energ=dftfun<br> table, energ; digits, 15<br>___________________________<br><br>However, it says that there is an error:<br>_________________<br> ? Error<br> ? iso.gt.maxbas<br> ? The problem occurs in arinp<br>
<br> GA ERROR fehler on processor 0 <br>________________-<br><br>May be someone could help me to solve the problem?<br><br>Best regards, Yurii <br><br>