!  Firefly luciferin...294 AOs...RHF/6-31G(d)//RHF/AM1
!  AM1's right ring is tipped about 45 degrees from left rings
!
!             H15
!             |
!             C4      N2               N11
!     H16   //  \    /  \\           //   \   H24    O21
!       \  //    \  /    \\         //     \ /      //
!         C5      C3      \\       //      C12----C20
!         |       ||       C1----C10        |        \
!         |       ||       /       \        |         O22-H23
!         C6      C8      /         \      C13-H25   
!       /  \\    /   \   /           \    /  \
!      O17  \\  /      S9             S14     H26
!      |      C7
!      H18    |               carboxyl at C12 is above plane
!             H19              in biologically active form
!
!  E.H.White,F.Capra,W.D.McElroy, J.Am.Chem.Soc. 83, 2402-3(1961)
!
!  direct: the FINAL energy is -1549.6900976275, 15 iters
!  direct: the RMS gradient is 0.024472345
!  direct: the CPU time is 45708 seconds, negligible disk
!
!  If storing ints on disk, FINAL E=-1549.6900976257 in 15 iters,
!  with RMS gradient= 0.024472366, using 5.9 GBytes for integrals.
!
!  This job was run on a RS/6000 model 350 ( 6 Mar 95)
!
!$SYSTEM   memory=45000000 memddi=5 parall=.true. TIMLIM=9999999 $END
 $contrl scftyp=rhf runtyp=gradient coord=zmt $end
 $SYSTEM   memory=45000000 TIMLIM=9999999 $END
 $basis  gbasis=n31 ngauss=6 ndfunc=1 $end
 $guess  guess=huckel $end
 $scf    dirscf=.true. $end
 $data
firefly luciferin...AM1 structure (E=-120.5957656629, pos.def.)
C1
C  
N      1   1.3263875
C      2   1.4001775  1   109.0446750
C      3   1.4134987  2   125.5148397  1  -179.9083529  0
C      4   1.3787360  3   119.4154476  2  -179.8765732  0
C      5   1.4181656  4   120.1172444  3    -0.0148654  0
C      6   1.3936370  5   121.8626097  4    -0.0013733  0
C      7   1.3952859  6   118.3964525  5     0.0092118  0
S      8   1.6846544  7   129.9283076  6   179.9295012  0
C      1   1.4567121  2   125.1243764  3   179.5654626  0
N     10   1.2994795  1   125.4319781  2    43.1347627  0
C     11   1.4608349 10   112.0246888  1  -179.1876514  0
C     12   1.5463482 11   111.6669944 10    -3.9470739  0
S     13   1.7860737 12   106.5123460 11     4.9868030  0
H      4   1.1013504  3   119.7181524  8   179.9152529  0
H      5   1.1000936  4   121.2557021  3   179.9405618  0
O      6   1.3737518  5   115.5359573  4  -179.9684278  0
H     17   0.9687806  6   108.2496067  5  -179.6720989  0
H      7   1.0987889  6   120.9167937  5   179.9590898  0
C     12   1.5173911 11   110.9093760 10  -127.0046990  0
O     20   1.2314045 12   128.9424643 11    89.6120315  0
O     20   1.3578903 12   113.1177206 21   178.2884415  0
H     22   0.9723039 20   109.6595936 12   178.1392427  0
H     12   1.1332235 11   106.6262016 10   116.2070589  0
H     13   1.1135004 12   110.7650158 11   124.0296202  0
H     13   1.1166159 12   111.4159994 11  -114.4365848  0
 $end