Hello, I am getting an unknown error message in the submission of the G03 file:<br><br> QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.<br> # HF/6-31G OPT FREQ ^M ^M ARGUSLAB-GENERAT<br> '<br>
Last state="GCL"<br> TCursr= 909 LCursr= 20<br> Error termination via Lnk1e in Gaussian64/g03/l1.exe at Thu Feb 24 19:26:31 2011.<br> Job cpu time: 0 days 0 hours 0 minutes 0.1 seconds.<br> File lengths (MBytes): RWF= 9 Int= 0 D2E= 0 Chk= 1 Scr= 1<br>
<br><br>The submission file is prepared in Argus Lab and looks as follows:<br><br>%chk=BuckyBall.chk<br># HF/6-31G Opt Freq <br><br>ArgusLab-generated input file for BuckyBall<br><br> 0 3<br>C -0.677394 -0.928398 -3.166238 <br>
C 0.672998 -0.928446 -3.166308 <br>C 1.090287 0.355662 -3.166349 <br>C -0.002252 1.149252 -3.166236 <br>C -1.094761 0.355692 -3.166308 <br>C -2.207300 0.717126 -2.443529 <br>C -1.364869 -1.874482 -2.443334 <br>
C 1.360544 -1.874612 -2.443455 <br>C 2.202769 0.717064 -2.443539 <br>C -0.002273 2.318671 -2.443310 <br>C 2.453119 -1.519766 -1.733636 <br>C 2.878066 -0.212169 -1.733664 <br>C 2.202696 1.865587 -1.733573 <br>
C 1.090185 2.673574 -1.733478 <br>C -1.094750 2.673602 -1.733477 <br>C -2.207294 1.865663 -1.733587 <br>C -2.882593 -0.212075 -1.733651 <br>C -2.457472 -1.519622 -1.733552 <br>
C -0.689644 -2.803573 -1.733436 <br>C 0.685341 -2.803673 -1.733490 <br>C -1.364814 -3.022879 -0.584899 <br>C -2.457440 -2.229447 -0.584919 <br>C 1.360538 -3.023080 -0.584938 <br>
C 2.453142 -2.229641 -0.584965 <br>C 3.295442 0.362133 -0.584991 <br>C 2.877991 1.646286 -0.584972 <br>C 0.672881 3.247762 -0.584900 <br>C -0.677441 3.247772 -0.584900 <br>C -2.882669 1.646412 -0.584987 <br>
C -3.300125 0.362235 -0.584997 <br>C -0.677324 -3.246244 0.584596 <br>C 0.673012 -3.246356 0.584600 <br>C 2.878165 -1.644929 0.584675 <br>C 3.295525 -0.360730 0.584685 <br>C 2.453028 2.231040 0.584637 <br>
C 1.360422 3.024522 0.584617 <br>C -2.457644 2.231133 0.584645 <br>C -1.364978 3.024550 0.584620 <br>C -2.882566 -1.644798 0.584681 <br>C -3.300136 -0.360638 0.584699 <br>C 1.090333 -2.672223 1.733208 <br>
C 2.202882 -1.864245 1.733311 <br>C -2.207252 -1.864123 1.733266 <br>C -1.094677 -2.672115 1.733166 <br>C -2.882710 0.213674 1.733376 <br>C -2.457667 1.521287 1.733309 <br>C -0.689778 2.805232 1.733169 <br>
C 0.685256 2.805226 1.733176 <br>C 2.878158 0.213598 1.733360 <br>C 2.453109 1.521217 1.733301 <br>C -0.002190 -2.317221 2.442969 <br>C -2.207307 -0.715570 2.443173 <br>C -1.364994 1.876105 2.443040 <br>
C 1.360490 1.876086 2.443059 <br>C 2.202875 -0.715646 2.443217 <br>C -0.677428 0.929925 3.165780 <br>C 0.672958 0.929915 3.165806 <br>C 1.090307 -0.354191 3.165883 <br>C -0.002209 -1.147744 3.165767 <br>
C -1.094738 -0.354156 3.165831 <br>Gd -0.004870 0.001706 -0.000166 <br><br>--Link1--<br>%chk=BuckyBall.chk<br># HF/6-31G Opt Freq Cube=(orbitals) <br> Geom=AllCheck Guess=(Read,Only) <br><br>BuckyBall_orbitals.cub<br>
212 213 <br><br>--Link1--<br>%chk=BuckyBall.chk<br># HF/6-31G Opt Freq Cube=(density) <br> Geom=AllCheck Guess=(Read,Only) <br><br>BuckyBall_density.cub<br><br>--Link1--<br>%chk=BuckyBall.chk<br># HF/6-31G Opt Freq Cube=(spin) <br>
Geom=AllCheck Guess=(Read,Only) <br><br>BuckyBall_spin.cub<br><br>--Link1--<br>%chk=BuckyBall.chk<br># HF/6-31G Opt Freq Cube=(potential) <br> Geom=AllCheck Guess=(Read,Only) <br><br>BuckyBall_potential.cub<br><br><br>
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