! EXAM40.
! CH2 singlet/triplet...minimum energy crossing.
! Ansatz is full valence MCSCF in cc-pVDZ basis,
! 25 AOs and 24 MOs, using spherical harmonics.
!
! It is well known that the ground state of CH2
! (A.Kalemos, T.H.Dunning, A.Mavridis, J.F.Harrison
! Can.J.Chem. 82, 684-693(2004)) is a triplet,
! but that the singlet state becomes the lowest
! surface at small angles. In this basis, the
! states have their minima at
! r(CH) a(HCH) Energy
! 3-B-1 1.10155 130.9955 -38.9605726
! 1-A-1 1.13868 99.9417 -38.9415486
! and we know there is a crossing of these states
! somewhere. Starting between the minima, near
! R=1.11 and angle=115, where
! triplet E= -38.9565003, dE/dZ(C)=+.0259717
! singlet E= -38.9359506, dE/dZ(C)=-.0411344,
! the seam minimization stops in 13 steps at
! C 0.0 .0000000000 .0977833873
! H 0.0 -.8659658151 -.6448916937
! H 0.0 .8659658151 -.6448916937
! which is R=1.1408, angle=98.77, actually just
! inside the 1-A-1's bond angle. This MEX point
! is the "transition state" for spin-orbit-coupling
! induced inter-system-crossing (ISC) between
! these two surfaces, see N.Matsunaga, S.Koseki,
! M.S.Gordon J.Chem.Phys. 104, 7988-7996(1996).
! Note that the MEX's energy and structure are
! very similar to the singlet state's minimum:
! Energy of First State = -38.941516
! Energy of Second State = -38.941513
! Energy Difference = .000003
! Max Effective Gradient = .000009
! RMS Effective Gradient = .000005
! Max Change of X = .000023
! RMS change of X = .000011
! PARALLEL GRADIENT (in seam) has RMS=.026456
!
$contrl runtyp=mex ispher=1 nzvar=3 $end
$system timlim=2 $end
$basis gbasis=ccd $end
$guess guess=moread norb=24 $end
$zmat izmat(1)=1,1,2, 1,1,3, 2,2,1,3 $end
$mex scf1=mcscf mult1=3 nmos1=24
scf2=mcscf mult2=1 nmos2=24 nrdmos=3 $end
$det1 stsym=b1 ncore=1 nact=6 nels=6 $end
$det2 stsym=a1 ncore=1 nact=6 nels=6 $end
$data
methylene...cc-pVDZ basis set
Cnv 2
Carbon 6.0
Hydrogen 1.0 0.0 0.936 -0.596
$end
3-B-1 state: E(MCSCF)= -38.9565003122
$VEC1
1 1 1.00173154E+00-4.42198856E-04-8.94940723E-03 0.00000000E+00 0.00000000E+00
1 2 1.48805436E-04 0.00000000E+00 0.00000000E+00 8.83965469E-04-3.30671745E-04
1 3 5.47484674E-04-2.16812929E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00
1 4-2.39900730E-03 1.14463072E-03 0.00000000E+00-5.27002000E-04-4.94316563E-04
1 5-2.39900730E-03 1.14463072E-03 0.00000000E+00 5.27002000E-04-4.94316563E-04
2 1-2.92306553E-03 4.01526143E-01 3.23102269E-01 0.00000000E+00 0.00000000E+00
2 2-1.00450004E-01 0.00000000E+00 0.00000000E+00-2.01515028E-02-4.20877477E-03
2 3 4.72808067E-03-5.19305909E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00
2 4 2.35813956E-01 4.23668497E-02 0.00000000E+00 2.27708147E-02 1.19379414E-02
2 5 2.35813956E-01 4.23668497E-02 0.00000000E+00-2.27708147E-02 1.19379414E-02
3 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.49743066E-01
3 2 0.00000000E+00 0.00000000E+00 1.74028646E-01 0.00000000E+00 0.00000000E+00
3 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.73770267E-02
3 4-3.18448599E-01-1.27100418E-01 0.00000000E+00-9.71278637E-03-1.33793460E-02
3 5 3.18448599E-01 1.27100418E-01 0.00000000E+00-9.71278637E-03 1.33793460E-02
4 1 6.44837194E-04 1.83121067E-01 3.47207103E-01 0.00000000E+00 0.00000000E+00
4 2 5.76898906E-01 0.00000000E+00 0.00000000E+00 3.70070104E-01 1.20231898E-02
4 3-2.27945046E-02 1.07713148E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
4 4-1.28805561E-01-6.15559831E-02 0.00000000E+00-1.04736098E-02 8.42403048E-03
4 5-1.28805561E-01-6.15559831E-02 0.00000000E+00 1.04736098E-02 8.42403048E-03
5 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.36274216E-01 0.00000000E+00
5 2 0.00000000E+00 4.92355757E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
5 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.42208626E-03 0.00000000E+00
5 4 0.00000000E+00 0.00000000E+00 1.78252445E-02 0.00000000E+00 0.00000000E+00
5 5 0.00000000E+00 0.00000000E+00 1.78252445E-02 0.00000000E+00 0.00000000E+00
6 1 2.17326092E-01 7.58994973E-01 2.93300707E-01 0.00000000E+00 0.00000000E+00
6 2-5.40853275E-01 0.00000000E+00 0.00000000E+00-2.01660258E-01 3.42856042E-02
6 3-8.16223981E-03-2.61233644E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
6 4-6.90063189E-01-1.91941622E-01 0.00000000E+00 6.11138856E-03-6.03558113E-03
6 5-6.90063189E-01-1.91941622E-01 0.00000000E+00-6.11138856E-03-6.03558113E-03
7 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.49808827E-01
7 2 0.00000000E+00 0.00000000E+00 2.09254635E-01 0.00000000E+00 0.00000000E+00
7 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-3.57714023E-02
7 4 6.49948287E-01 2.22589744E-01 0.00000000E+00-1.45015829E-02-6.50102783E-03
7 5-6.49948287E-01-2.22589744E-01 0.00000000E+00-1.45015829E-02 6.50102783E-03
8 1-1.20605864E-01-1.63631324E-01 1.79074148E+00 0.00000000E+00 0.00000000E+00
8 2 1.03618900E-01 0.00000000E+00 0.00000000E+00-5.82741892E-01-1.44403028E-01
8 3 1.51951077E-01-7.54804896E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
8 4 4.74134541E-01-1.49921635E+00 0.00000000E+00-1.16021311E-01-3.69323369E-02
8 5 4.74134541E-01-1.49921635E+00 0.00000000E+00 1.16021311E-01-3.69323369E-02
9 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-8.56466162E-02
9 2 0.00000000E+00 0.00000000E+00 1.16214912E+00 0.00000000E+00 0.00000000E+00
9 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.09795997E-01
9 4-4.99668658E-01 1.98584873E+00 0.00000000E+00 9.55893541E-02 8.62915690E-02
9 5 4.99668658E-01-1.98584873E+00 0.00000000E+00 9.55893541E-02-8.62915690E-02
10 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-5.67638439E-01
10 2 0.00000000E+00 0.00000000E+00 2.22084962E+00 0.00000000E+00 0.00000000E+00
10 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.49251231E-02
10 4 4.31134285E-01 1.12212232E+00 0.00000000E+00 9.78004494E-02 3.71169449E-02
10 5-4.31134285E-01-1.12212232E+00 0.00000000E+00 9.78004494E-02-3.71169449E-02
11 1-1.95326809E-02-1.50906436E-01-5.77608415E-01 0.00000000E+00 0.00000000E+00
11 2-8.46612688E-01 0.00000000E+00 0.00000000E+00 1.35144829E+00 1.36376244E-03
11 3 1.87976622E-02-2.01614247E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
11 4 2.79732069E-01 3.01263126E-01 0.00000000E+00 5.29615565E-02 1.30851824E-02
11 5 2.79732069E-01 3.01263126E-01 0.00000000E+00-5.29615565E-02 1.30851824E-02
12 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-9.80631610E-01 0.00000000E+00
12 2 0.00000000E+00 1.09112008E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
12 3 0.00000000E+00 0.00000000E+00 0.00000000E+00-8.35422689E-03 0.00000000E+00
12 4 0.00000000E+00 0.00000000E+00-5.01359833E-02 0.00000000E+00 0.00000000E+00
12 5 0.00000000E+00 0.00000000E+00-5.01359833E-02 0.00000000E+00 0.00000000E+00
13 1-7.47690731E-01-1.63795947E+00 3.39770525E+00 0.00000000E+00 0.00000000E+00
13 2-8.91355128E-02 0.00000000E+00 0.00000000E+00-6.94296261E-01 3.17909783E-02
13 3-9.54128865E-02 6.36219083E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
13 4-3.08527466E-01-1.03739575E+00 0.00000000E+00-3.68894822E-02-1.43051453E-01
13 5-3.08527466E-01-1.03739575E+00 0.00000000E+00 3.68894822E-02-1.43051453E-01
14 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
14 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
14 3 0.00000000E+00 0.00000000E+00 6.31062268E-01 0.00000000E+00 0.00000000E+00
14 4 0.00000000E+00 0.00000000E+00-3.64637518E-01 0.00000000E+00 0.00000000E+00
14 5 0.00000000E+00 0.00000000E+00 3.64637518E-01 0.00000000E+00 0.00000000E+00
15 1-1.85184831E-01-3.95234850E-01 8.46658158E-01 0.00000000E+00 0.00000000E+00
15 2-4.51556342E-02 0.00000000E+00 0.00000000E+00-3.63294627E-01 4.10163373E-01
15 3 3.06432420E-01-7.16595792E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
15 4-1.60085247E-01-2.30871173E-01 0.00000000E+00-1.66423698E-01 2.61096944E-01
15 5-1.60085247E-01-2.30871173E-01 0.00000000E+00 1.66423698E-01 2.61096944E-01
16 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.10491115E-02 0.00000000E+00
16 2 0.00000000E+00 1.10341287E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
16 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.96002261E-01 0.00000000E+00
16 4 0.00000000E+00 0.00000000E+00-2.94541368E-01 0.00000000E+00 0.00000000E+00
16 5 0.00000000E+00 0.00000000E+00-2.94541368E-01 0.00000000E+00 0.00000000E+00
17 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-7.28526237E-02
17 2 0.00000000E+00 0.00000000E+00 7.79933881E-01 0.00000000E+00 0.00000000E+00
17 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.51656899E-01
17 4 3.15661944E-01 2.19566474E-01 0.00000000E+00-4.57396190E-01 5.29348246E-01
17 5-3.15661944E-01-2.19566474E-01 0.00000000E+00-4.57396190E-01-5.29348246E-01
18 1-3.12520250E-01-6.19615370E-01 1.34227810E+00 0.00000000E+00 0.00000000E+00
18 2 2.46053293E-02 0.00000000E+00 0.00000000E+00-6.11052236E-01-9.43129690E-01
18 3 6.87188970E-01 2.55940719E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
18 4-6.28276872E-01-2.15778678E-01 0.00000000E+00 3.68039895E-02 2.47596995E-01
18 5-6.28276872E-01-2.15778678E-01 0.00000000E+00-3.68039895E-02 2.47596995E-01
19 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.62385506E-01
19 2 0.00000000E+00 0.00000000E+00-4.11945516E-01 0.00000000E+00 0.00000000E+00
19 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.85062182E-01
19 4-5.13869102E-01 1.20425698E-01 0.00000000E+00 6.29158536E-02 4.41823579E-01
19 5 5.13869102E-01-1.20425698E-01 0.00000000E+00 6.29158536E-02-4.41823579E-01
20 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.89677782E-01 0.00000000E+00
20 2 0.00000000E+00-3.29619402E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
20 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.19159154E-01 0.00000000E+00
20 4 0.00000000E+00 0.00000000E+00 7.73137898E-01 0.00000000E+00 0.00000000E+00
20 5 0.00000000E+00 0.00000000E+00 7.73137898E-01 0.00000000E+00 0.00000000E+00
21 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
21 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
21 3 0.00000000E+00 0.00000000E+00 9.89179462E-01 0.00000000E+00 0.00000000E+00
21 4 0.00000000E+00 0.00000000E+00 7.50171036E-01 0.00000000E+00 0.00000000E+00
21 5 0.00000000E+00 0.00000000E+00-7.50171036E-01 0.00000000E+00 0.00000000E+00
22 1 2.53604901E-02 7.14316915E-02 4.15156701E-01 0.00000000E+00 0.00000000E+00
22 2-2.70581103E-01 0.00000000E+00 0.00000000E+00-4.00505191E-01-7.64506956E-02
22 3-7.96145936E-01 8.72596632E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
22 4-1.41442387E-02-2.32466261E-01 0.00000000E+00-6.30118183E-01 5.74480177E-01
22 5-1.41442387E-02-2.32466261E-01 0.00000000E+00 6.30118183E-01 5.74480177E-01
23 1 2.94790114E-01 7.82226013E-01 1.55338685E+00 0.00000000E+00 0.00000000E+00
23 2-7.43852848E-01 0.00000000E+00 0.00000000E+00-4.13028408E-01-7.52747790E-01
23 3 1.01392626E+00-2.61178472E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
23 4-9.51870581E-01-5.02413892E-01 0.00000000E+00-8.79818326E-01-7.73230853E-01
23 5-9.51870581E-01-5.02413892E-01 0.00000000E+00 8.79818326E-01-7.73230853E-01
24 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.20662638E+00
24 2 0.00000000E+00 0.00000000E+00-1.01468386E+00 0.00000000E+00 0.00000000E+00
24 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.33706726E+00
24 4-1.10453595E+00-6.27660592E-01 0.00000000E+00-1.01738514E+00-5.81603712E-01
24 5 1.10453595E+00 6.27660592E-01 0.00000000E+00-1.01738514E+00 5.81603712E-01
$END
1-A-1 state: E(MCSCF)= -38.9359506088
$VEC2
1 1 1.00168042E+00-2.14223242E-03-9.93982069E-03 0.00000000E+00 0.00000000E+00
1 2-2.75915065E-03 0.00000000E+00 0.00000000E+00 3.80523187E-04-1.19743376E-03
1 3 9.34820843E-04 2.62612917E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00
1 4-3.03324187E-03 1.20511904E-03 0.00000000E+00-1.01968408E-03-7.47505378E-04
1 5-3.03324187E-03 1.20511904E-03 0.00000000E+00 1.01968408E-03-7.47505378E-04
2 1-5.82091638E-04 4.01113031E-01 3.22107284E-01 0.00000000E+00 0.00000000E+00
2 2-1.02456210E-01 0.00000000E+00 0.00000000E+00-1.41032710E-02-5.19956612E-03
2 3 1.99425536E-03 3.20531076E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
2 4 2.41888902E-01 3.84206248E-02 0.00000000E+00 2.45744794E-02 1.14304756E-02
2 5 2.41888902E-01 3.84206248E-02 0.00000000E+00-2.45744794E-02 1.14304756E-02
3 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.58616142E-01
3 2 0.00000000E+00 0.00000000E+00 1.63107571E-01 0.00000000E+00 0.00000000E+00
3 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-4.43265766E-02
3 4-3.15044618E-01-1.29787217E-01 0.00000000E+00-9.21411060E-03-1.26251857E-02
3 5 3.15044618E-01 1.29787217E-01 0.00000000E+00-9.21411060E-03 1.26251857E-02
4 1-1.03888870E-02 1.49057285E-01 3.95322328E-01 0.00000000E+00 0.00000000E+00
4 2 5.55754249E-01 0.00000000E+00 0.00000000E+00 3.88058399E-01 3.82985733E-02
4 3-2.29966050E-03-3.59989128E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
4 4-1.24184647E-01-7.74597298E-02 0.00000000E+00-8.22312722E-03 9.41240808E-03
4 5-1.24184647E-01-7.74597298E-02 0.00000000E+00 8.22312722E-03 9.41240808E-03
5 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.00562902E-01 0.00000000E+00
5 2 0.00000000E+00 3.97054531E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
5 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.03974759E-01 0.00000000E+00
5 4 0.00000000E+00 0.00000000E+00 1.65414962E-02 0.00000000E+00 0.00000000E+00
5 5 0.00000000E+00 0.00000000E+00 1.65414962E-02 0.00000000E+00 0.00000000E+00
6 1-1.94856643E-01-6.89362923E-01-2.69636329E-01 0.00000000E+00 0.00000000E+00
6 2 6.91397302E-01 0.00000000E+00 0.00000000E+00-7.56324622E-03 7.29701070E-02
6 3-1.27639562E-02-6.02061508E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
6 4 6.45503114E-01 1.73363525E-01 0.00000000E+00-5.19999377E-03-2.80790987E-02
6 5 6.45503114E-01 1.73363525E-01 0.00000000E+00 5.19999377E-03-2.80790987E-02
7 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.54552058E-01
7 2 0.00000000E+00 0.00000000E+00 1.75526180E-01 0.00000000E+00 0.00000000E+00
7 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-9.06710888E-02
7 4 6.43925532E-01 2.28110132E-01 0.00000000E+00-2.26293251E-02-2.30064671E-02
7 5-6.43925532E-01-2.28110132E-01 0.00000000E+00-2.26293251E-02 2.30064671E-02
8 1-1.21024766E-01-1.47583917E-01 1.89659709E+00 0.00000000E+00 0.00000000E+00
8 2 2.50735435E-01 0.00000000E+00 0.00000000E+00-8.23135446E-01-1.11199168E-01
8 3 1.39851476E-01-2.86523074E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
8 4 4.14255616E-01-1.54208503E+00 0.00000000E+00-1.21171301E-01-4.30697344E-02
8 5 4.14255616E-01-1.54208503E+00 0.00000000E+00 1.21171301E-01-4.30697344E-02
9 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.22647525E-01
9 2 0.00000000E+00 0.00000000E+00 1.21175227E+00 0.00000000E+00 0.00000000E+00
9 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.05271525E-01
9 4-5.05475062E-01 2.01028293E+00 0.00000000E+00 1.01156001E-01 9.29790261E-02
9 5 5.05475062E-01-2.01028293E+00 0.00000000E+00 1.01156001E-01-9.29790261E-02
10 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-5.23180299E-01
10 2 0.00000000E+00 0.00000000E+00 2.18227891E+00 0.00000000E+00 0.00000000E+00
10 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-3.58650972E-03
10 4 4.52173598E-01 1.07447127E+00 0.00000000E+00 9.40272969E-02 2.75503957E-02
10 5-4.52173598E-01-1.07447127E+00 0.00000000E+00 9.40272969E-02-2.75503957E-02
11 1 4.72794439E-02-3.59273021E-02-7.98797596E-01 0.00000000E+00 0.00000000E+00
11 2-6.99369923E-01 0.00000000E+00 0.00000000E+00 1.30219813E+00-7.05983981E-02
11 3 9.00170290E-02-1.94186309E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
11 4 5.07063246E-01 2.07804234E-01 0.00000000E+00 3.62322965E-03 1.55950306E-02
11 5 5.07063246E-01 2.07804234E-01 0.00000000E+00-3.62322965E-03 1.55950306E-02
12 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-9.22041280E-01 0.00000000E+00
12 2 0.00000000E+00 1.12551622E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
12 3 0.00000000E+00 0.00000000E+00 0.00000000E+00-5.90199045E-02 0.00000000E+00
12 4 0.00000000E+00 0.00000000E+00-3.85968896E-02 0.00000000E+00 0.00000000E+00
12 5 0.00000000E+00 0.00000000E+00-3.85968896E-02 0.00000000E+00 0.00000000E+00
13 1-7.46742471E-01-1.66045867E+00 3.27516224E+00 0.00000000E+00 0.00000000E+00
13 2-2.26140868E-01 0.00000000E+00 0.00000000E+00-4.71803702E-01 4.66466063E-02
13 3-8.75383191E-02 4.08917127E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
13 4-2.31846730E-01-9.94959302E-01 0.00000000E+00-3.48616346E-02-1.37906570E-01
13 5-2.31846730E-01-9.94959302E-01 0.00000000E+00 3.48616346E-02-1.37906570E-01
14 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
14 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
14 3 0.00000000E+00 0.00000000E+00 6.28390656E-01 0.00000000E+00 0.00000000E+00
14 4 0.00000000E+00 0.00000000E+00-3.66660537E-01 0.00000000E+00 0.00000000E+00
14 5 0.00000000E+00 0.00000000E+00 3.66660537E-01 0.00000000E+00 0.00000000E+00
15 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.03714872E-01 0.00000000E+00
15 2 0.00000000E+00 8.88581816E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
15 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.91967492E-01 0.00000000E+00
15 4 0.00000000E+00 0.00000000E+00-2.80875590E-01 0.00000000E+00 0.00000000E+00
15 5 0.00000000E+00 0.00000000E+00-2.80875590E-01 0.00000000E+00 0.00000000E+00
16 1 1.56675154E-01 3.31168156E-01-6.94380909E-01 0.00000000E+00 0.00000000E+00
16 2 9.99968195E-02 0.00000000E+00 0.00000000E+00 3.36715382E-01-4.29989565E-01
16 3-2.78259231E-01 7.08248796E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
16 4 1.65110324E-01 1.73585712E-01 0.00000000E+00 1.52595944E-01-2.79345649E-01
16 5 1.65110324E-01 1.73585712E-01 0.00000000E+00-1.52595944E-01-2.79345649E-01
17 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-9.51466039E-02
17 2 0.00000000E+00 0.00000000E+00 8.14663065E-01 0.00000000E+00 0.00000000E+00
17 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.77684279E-01
17 4 3.32076012E-01 2.27201060E-01 0.00000000E+00-4.56054221E-01 5.19346258E-01
17 5-3.32076012E-01-2.27201060E-01 0.00000000E+00-4.56054221E-01-5.19346258E-01
18 1-3.37027686E-01-6.86535102E-01 1.45682739E+00 0.00000000E+00 0.00000000E+00
18 2 7.81962805E-02 0.00000000E+00 0.00000000E+00-6.64689539E-01-9.55343746E-01
18 3 7.01991657E-01 2.53352088E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
18 4-5.96745365E-01-2.63118597E-01 0.00000000E+00 4.46263413E-03 2.37158039E-01
18 5-5.96745365E-01-2.63118597E-01 0.00000000E+00-4.46263413E-03 2.37158039E-01
19 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.42992921E-01 0.00000000E+00
19 2 0.00000000E+00-3.48491800E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
19 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.91807254E-01 0.00000000E+00
19 4 0.00000000E+00 0.00000000E+00 7.78892640E-01 0.00000000E+00 0.00000000E+00
19 5 0.00000000E+00 0.00000000E+00 7.78892640E-01 0.00000000E+00 0.00000000E+00
20 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14864600E-01
20 2 0.00000000E+00 0.00000000E+00-4.07408252E-01 0.00000000E+00 0.00000000E+00
20 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.77868578E-01
20 4-4.78124013E-01 1.12490791E-01 0.00000000E+00 4.78706804E-02 4.52780265E-01
20 5 4.78124013E-01-1.12490791E-01 0.00000000E+00 4.78706804E-02-4.52780265E-01
21 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
21 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
21 3 0.00000000E+00 0.00000000E+00 9.90878790E-01 0.00000000E+00 0.00000000E+00
21 4 0.00000000E+00 0.00000000E+00 7.49184326E-01 0.00000000E+00 0.00000000E+00
21 5 0.00000000E+00 0.00000000E+00-7.49184326E-01 0.00000000E+00 0.00000000E+00
22 1 3.80234094E-02 1.02505054E-01 4.98251638E-01 0.00000000E+00 0.00000000E+00
22 2-2.68953805E-01 0.00000000E+00 0.00000000E+00-4.28922764E-01-1.06552285E-01
22 3-7.50513836E-01 8.57066121E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
22 4-3.99677958E-02-2.64963656E-01 0.00000000E+00-6.78674542E-01 5.25052075E-01
22 5-3.99677958E-02-2.64963656E-01 0.00000000E+00 6.78674542E-01 5.25052075E-01
23 1 2.97746292E-01 7.93953844E-01 1.53372105E+00 0.00000000E+00 0.00000000E+00
23 2-7.14885466E-01 0.00000000E+00 0.00000000E+00-4.20187802E-01-7.19814505E-01
23 3 1.04507907E+00-3.25264569E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
23 4-9.56660051E-01-4.95069454E-01 0.00000000E+00-8.47324029E-01-8.04708717E-01
23 5-9.56660051E-01-4.95069454E-01 0.00000000E+00 8.47324029E-01-8.04708717E-01
24 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.20233282E+00
24 2 0.00000000E+00 0.00000000E+00-1.02306435E+00 0.00000000E+00 0.00000000E+00
24 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.33507356E+00
24 4-1.10921376E+00-6.29479579E-01 0.00000000E+00-1.01847993E+00-5.81293704E-01
24 5 1.10921376E+00 6.29479579E-01 0.00000000E+00-1.01847993E+00 5.81293704E-01
$END
Link to the log file of this example.
exam40 Log File
created on 6/20/2013