! EXAM 33.
! This job illustrates occupation restricted multiple
! active space MCSCF, for HCN.
!
! The multiple active spaces are sigma, pi-x, and pi-y.
! The excitation level between these three spaces can be
! limited to 0, 1, or 2. The number of determinants in
! each such ORMAS-MCSCF are
! excitation MINE MAXE # dets energy gradient
! 0 6,2,2 6,2,2 2,610 -93.014905 0.04394
! 1 5,1,1 7,3,3 11,290 -93.014905 0.04394
! 2 4,0,0 8,4,4 15,410 -93.022394 0.04510
! full CI 2,0,0 10,4,4 15,876 -93.022407 0.04511
! Full CI of 10 valence electrons in 9 valence orbitals
! is well within the capabilities of CISTEP=ALDET, but
! this example is meant to illustrate using occupational
! restrictions to limit the number of determinants.
! Note the singles between spaces don't contribute any
! energy because in this case the singles determinants
! all have the wrong total space symmetry.
!
! FINAL E= -93.0223942017, 11 iters, RMS grad=0.045100935
!
$contrl scftyp=mcscf runtyp=gradient nzvar=3 $end
$system timlim=3 mwords=2 memddi=1 $end
$basis gbasis=n31 ngauss=6 ndfunc=1 npfunc=1 $end
$zmat izmat(1)=1,1,2, 1,2,3, 5,1,2,3 $end
$libe apts(1)=1.0,0.0,0.0 $end
! reordering is sigma before pi-x before pi-y before empty
$guess guess=moread norb=35 norder=1
iorder(3)=3,4,5,10,14, 6,9, 7,8, 11,12,13 $end
$mcscf soscf=.true. cistep=ormas $end
$det ncore=2 nact=9 nels=10 $end
$ormas nspace=3 mstart(1)=3,8,10 mine(1)=4,0,0
maxe(1)=8,4,4 $end
! uncomment the following lines to convert this run
! from a MCSCF nuclear gradient, into a 2nd order
! perturbation theory energy correction using GMCQDPT.
! E(MP2)= -93.1328290859, reference wt= 96.974%
--- $contrl runtyp=energy mplevl=2 $end
--- $system mwords=10 memddi=10 $end
--- $mcscf soscf=.true. cistep=gmcci $end
--- $gmcpt nmofzc=2 nmodoc=0 nmoact=9 reftyp=ormas
--- nspace=3 mstart(1)=3,8,10 mine(1)=4,0,0
--- maxe(1)=8,4,4 $end
--- $mrmp mrpt=gmcpt $end
$data
HCN...6-31G(d,p) MCSCF using ORMAS...RHF geometry
Cnv 4
H 1.0 0.0 0.0 -1.0589956
C 6.0 0.0 0.0 0.0
N 7.0 0.0 0.0 1.1327718
$end
--- CLOSED SHELL MO's --- GENERATED Mon, Jan 13, 2003
E(RHF)= -92.8771381048, with MVOQ=4 used to make virtuals.
$VEC
1 1 6.10922109E-04 1.07533718E-03 0.00000000E+00 0.00000000E+00 4.42507695E-04
1 2 1.75366151E-05-1.72810573E-04 0.00000000E+00 0.00000000E+00-9.47889504E-04
1 3 2.89414343E-03 0.00000000E+00 0.00000000E+00 2.96549645E-03 1.07901609E-04
1 4 1.07901609E-04-1.72288335E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
1 5 9.95305688E-01 2.46861793E-02 0.00000000E+00 0.00000000E+00-2.92654993E-03
1 6-4.79495148E-03 0.00000000E+00 0.00000000E+00 1.85514887E-03-3.37808198E-03
1 7-3.37808198E-03-1.52807879E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
2 1-1.15525794E-03 3.48261138E-03 0.00000000E+00 0.00000000E+00-9.71684198E-04
2 2 9.95374961E-01 2.73297492E-02 0.00000000E+00 0.00000000E+00-3.63054503E-04
2 3-3.86113550E-03 0.00000000E+00 0.00000000E+00 4.26467557E-03-3.23620823E-03
2 4-3.23620823E-03 1.35523373E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00
2 5-1.11956008E-03-1.84559458E-04 0.00000000E+00 0.00000000E+00 2.03271397E-05
2 6-3.66655602E-03 0.00000000E+00 0.00000000E+00 1.67964518E-03-6.88326209E-05
2 7-6.88326209E-05 2.95725216E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00
3 1 3.26071420E-02-3.66127090E-02 0.00000000E+00 0.00000000E+00 4.26276030E-03
3 2-1.53313092E-01 2.82196442E-01 0.00000000E+00 0.00000000E+00 2.12532082E-01
3 3 8.72642450E-02 0.00000000E+00 0.00000000E+00-7.14201363E-02-1.61524808E-02
3 4-1.61524808E-02 2.32081370E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
3 5-1.82925943E-01 3.63685385E-01 0.00000000E+00 0.00000000E+00-1.92633163E-01
3 6 3.75291805E-01 0.00000000E+00 0.00000000E+00-7.01246394E-02-1.42297886E-02
3 7-1.42297886E-02 2.03541799E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
4 1-3.03544610E-01-1.37206223E-01 0.00000000E+00 0.00000000E+00-1.91043061E-02
4 2 1.24926444E-01-2.53728189E-01 0.00000000E+00 0.00000000E+00 3.36640440E-01
4 3-2.32800675E-01 0.00000000E+00 0.00000000E+00 1.45565112E-01 7.27018150E-03
4 4 7.27018150E-03-2.34974945E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
4 5-6.89988360E-02 1.57335722E-01 0.00000000E+00 0.00000000E+00 5.97019471E-03
4 6 1.03479476E-01 0.00000000E+00 0.00000000E+00 3.32202711E-02-3.12593904E-03
4 7-3.12593904E-03 6.27445338E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
5 1 8.06734562E-02 9.75552699E-02 0.00000000E+00 0.00000000E+00 2.99762374E-04
5 2 6.34149773E-02-1.37576964E-01 0.00000000E+00 0.00000000E+00-2.52279359E-01
5 3-4.44378461E-02 0.00000000E+00 0.00000000E+00-9.89491635E-03 3.84221679E-03
5 4 3.84221679E-03 1.12296980E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
5 5-1.07622780E-01 2.38728793E-01 0.00000000E+00 0.00000000E+00 5.15501021E-01
5 6 4.40160869E-01 0.00000000E+00 0.00000000E+00 2.79945405E-01 8.23063042E-03
5 7 8.23063042E-03-3.89865465E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
6 1 0.00000000E+00 0.00000000E+00 9.33155935E-03 0.00000000E+00 0.00000000E+00
6 2 0.00000000E+00 0.00000000E+00 3.95091255E-01 0.00000000E+00 0.00000000E+00
6 3 0.00000000E+00 2.37386196E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
6 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.32461328E-02 0.00000000E+00
6 5 0.00000000E+00 0.00000000E+00 4.39692202E-01 0.00000000E+00 0.00000000E+00
6 6 0.00000000E+00 2.74771375E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
6 7 0.00000000E+00 0.00000000E+00 0.00000000E+00-4.28787453E-02 0.00000000E+00
7 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.33155935E-03 0.00000000E+00
7 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.95091255E-01 0.00000000E+00
7 3 0.00000000E+00 0.00000000E+00 2.37386196E-01 0.00000000E+00 0.00000000E+00
7 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.32461328E-02
7 5 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.39692202E-01 0.00000000E+00
7 6 0.00000000E+00 0.00000000E+00 2.74771375E-01 0.00000000E+00 0.00000000E+00
7 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-4.28787453E-02
8 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-8.49254891E-03 0.00000000E+00
8 2 0.00000000E+00 0.00000000E+00 0.00000000E+00-6.82522588E-01 0.00000000E+00
8 3 0.00000000E+00 0.00000000E+00-2.44054023E-01 0.00000000E+00 0.00000000E+00
8 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.30450008E-02
8 5 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.90835051E-01 0.00000000E+00
8 6 0.00000000E+00 0.00000000E+00 2.19799923E-01 0.00000000E+00 0.00000000E+00
8 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.66496669E-02
9 1 0.00000000E+00 0.00000000E+00-8.49254891E-03 0.00000000E+00 0.00000000E+00
9 2 0.00000000E+00 0.00000000E+00-6.82522588E-01 0.00000000E+00 0.00000000E+00
9 3 0.00000000E+00-2.44054023E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
9 4 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.30450008E-02 0.00000000E+00
9 5 0.00000000E+00 0.00000000E+00 6.90835051E-01 0.00000000E+00 0.00000000E+00
9 6 0.00000000E+00 2.19799923E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
9 7 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.66496669E-02 0.00000000E+00
10 1-2.48517509E-01-2.45274997E-02 0.00000000E+00 0.00000000E+00 5.87359256E-03
10 2-1.28024408E-01 4.31719796E-01 0.00000000E+00 0.00000000E+00 1.92589584E-01
10 3 1.48427122E+00 0.00000000E+00 0.00000000E+00 1.02197545E+00 6.45806703E-02
10 4 6.45806703E-02-1.76450404E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
10 5 1.09325541E-01-4.79538013E-01 0.00000000E+00 0.00000000E+00 5.81411127E-01
10 6-1.37230870E+00 0.00000000E+00 0.00000000E+00 4.59750709E-01 2.97281771E-02
10 7 2.97281771E-02 4.18684754E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
11 1-1.09159595E-03 9.17197532E-01 0.00000000E+00 0.00000000E+00-4.88120040E-03
11 2 6.18870576E-02-1.15944437E+00 0.00000000E+00 0.00000000E+00-5.26042191E-01
11 3 1.22302562E+00 0.00000000E+00 0.00000000E+00 1.80716396E+00 2.09503131E-02
11 4 2.09503131E-02 2.36428096E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
11 5 8.75109641E-03-2.33788578E-01 0.00000000E+00 0.00000000E+00-3.32402571E-01
11 6-1.05793716E+00 0.00000000E+00 0.00000000E+00 9.37118290E-02 8.64159990E-02
11 7 8.64159990E-02-2.04560978E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
12 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.28786831E-03 0.00000000E+00
12 2 0.00000000E+00 0.00000000E+00 0.00000000E+00-7.82897211E-01 0.00000000E+00
12 3 0.00000000E+00 0.00000000E+00 8.11423216E-01 0.00000000E+00 0.00000000E+00
12 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.22585341E-01
12 5 0.00000000E+00 0.00000000E+00 0.00000000E+00-4.95144702E-01 0.00000000E+00
12 6 0.00000000E+00 0.00000000E+00 4.37235437E-01 0.00000000E+00 0.00000000E+00
12 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.15300704E-01
13 1 0.00000000E+00 0.00000000E+00-2.28786831E-03 0.00000000E+00 0.00000000E+00
13 2 0.00000000E+00 0.00000000E+00-7.82897211E-01 0.00000000E+00 0.00000000E+00
13 3 0.00000000E+00 8.11423216E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
13 4 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.22585341E-01 0.00000000E+00
13 5 0.00000000E+00 0.00000000E+00-4.95144702E-01 0.00000000E+00 0.00000000E+00
13 6 0.00000000E+00 4.37235437E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
13 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.15300704E-01 0.00000000E+00
14 1-1.35409416E-01-1.30451262E+00 0.00000000E+00 0.00000000E+00 2.40396086E-02
14 2-4.46373663E-02 2.99571319E-01 0.00000000E+00 0.00000000E+00-9.29215324E-01
14 3-1.13606789E+00 0.00000000E+00 0.00000000E+00-1.18867650E+00 1.33662932E-02
14 4 1.33662932E-02-4.78393891E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
14 5-7.09800390E-02 2.83467223E-01 0.00000000E+00 0.00000000E+00-1.65779310E-01
14 6 1.74381020E+00 0.00000000E+00 0.00000000E+00-1.00639746E+00 1.25729579E-02
14 7 1.25729579E-02-8.92192307E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
15 1 9.12806710E-02 8.15961325E-02 0.00000000E+00 0.00000000E+00-5.31830138E-03
15 2-2.04181017E-03 5.34216120E-01 0.00000000E+00 0.00000000E+00-1.64025127E-01
15 3 1.12347016E+00 0.00000000E+00 0.00000000E+00 1.10865544E+00-5.60731203E-02
15 4-5.60731203E-02 9.72329303E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
15 5 6.63359964E-02-4.12334546E-01 0.00000000E+00 0.00000000E+00-6.92904452E-01
15 6-1.13076359E+00 0.00000000E+00 0.00000000E+00 1.66618149E+00-4.91265135E-02
15 7-4.91265135E-02 1.64177745E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
16 1 0.00000000E+00 0.00000000E+00-3.46701099E-02 0.00000000E+00 0.00000000E+00
16 2 0.00000000E+00 0.00000000E+00 3.97805324E-01 0.00000000E+00 0.00000000E+00
16 3 0.00000000E+00-1.18778900E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
16 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.64127071E-02 0.00000000E+00
16 5 0.00000000E+00 0.00000000E+00-6.89595280E-01 0.00000000E+00 0.00000000E+00
16 6 0.00000000E+00 1.37358565E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
16 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.90248087E-03 0.00000000E+00
17 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-3.46701099E-02 0.00000000E+00
17 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.97805324E-01 0.00000000E+00
17 3 0.00000000E+00 0.00000000E+00-1.18778900E+00 0.00000000E+00 0.00000000E+00
17 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.64127071E-02
17 5 0.00000000E+00 0.00000000E+00 0.00000000E+00-6.89595280E-01 0.00000000E+00
17 6 0.00000000E+00 0.00000000E+00 1.37358565E+00 0.00000000E+00 0.00000000E+00
17 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.90248087E-03
18 1-4.14522576E-01-2.18990626E+00 0.00000000E+00 0.00000000E+00-2.62980461E-02
18 2-1.57015496E-03-1.01778703E+00 0.00000000E+00 0.00000000E+00 1.62955477E-01
18 3 3.48099235E+00 0.00000000E+00 0.00000000E+00-1.67914208E+00-2.20969844E-02
18 4-2.20969844E-02 5.55818798E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
18 5-5.60441071E-04 7.70946983E-01 0.00000000E+00 0.00000000E+00-3.32034418E-01
18 6-1.00688499E+00 0.00000000E+00 0.00000000E+00 9.01289491E-01 1.40819886E-02
18 7 1.40819886E-02 5.36991211E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
19 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
19 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
19 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
19 4 0.00000000E+00 0.00000000E+00 6.28441618E-01 0.00000000E+00 0.00000000E+00
19 5 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
19 6 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
19 7 0.00000000E+00 0.00000000E+00 6.83807384E-01 0.00000000E+00 0.00000000E+00
20 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
20 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
20 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.44246406E-01
20 4-5.44246406E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
20 5 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
20 6 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.92194566E-01
20 7-5.92194566E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
21 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.27607681E-01 0.00000000E+00
21 2 0.00000000E+00 0.00000000E+00 0.00000000E+00-3.71437816E-01 0.00000000E+00
21 3 0.00000000E+00 0.00000000E+00 3.29554786E-01 0.00000000E+00 0.00000000E+00
21 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.84806933E-01
21 5 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.99423471E-01 0.00000000E+00
21 6 0.00000000E+00 0.00000000E+00-1.08305717E-01 0.00000000E+00 0.00000000E+00
21 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-5.60792257E-01
22 1 0.00000000E+00 0.00000000E+00-1.27607681E-01 0.00000000E+00 0.00000000E+00
22 2 0.00000000E+00 0.00000000E+00-3.71437816E-01 0.00000000E+00 0.00000000E+00
22 3 0.00000000E+00 3.29554786E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
22 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.84806933E-01 0.00000000E+00
22 5 0.00000000E+00 0.00000000E+00-1.99423471E-01 0.00000000E+00 0.00000000E+00
22 6 0.00000000E+00-1.08305717E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
22 7 0.00000000E+00 0.00000000E+00 0.00000000E+00-5.60792257E-01 0.00000000E+00
23 1-9.58053666E-01 2.55231857E+00 0.00000000E+00 0.00000000E+00 6.23582084E-02
23 2 2.06222682E-03 6.44630699E-01 0.00000000E+00 0.00000000E+00-5.94828606E-01
23 3-3.72547192E-01 0.00000000E+00 0.00000000E+00 2.03101341E+00 8.35877970E-02
23 4 8.35877970E-02-2.76475999E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
23 5 2.24376194E-02 7.68184817E-01 0.00000000E+00 0.00000000E+00-3.85188563E-01
23 6-2.29113083E+00 0.00000000E+00 0.00000000E+00 8.62539482E-01 3.61114520E-02
23 7 3.61114520E-02 8.52489700E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
24 1-5.04496894E-01-2.49959764E+00 0.00000000E+00 0.00000000E+00 2.88640751E-02
24 2-8.82817238E-03-2.11831746E-01 0.00000000E+00 0.00000000E+00 1.92024052E-01
24 3-4.47675504E+00 0.00000000E+00 0.00000000E+00-6.36980526E+00 2.01065848E-01
24 4 2.01065848E-01-3.41097578E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
24 5-6.32758856E-02-1.49208228E+00 0.00000000E+00 0.00000000E+00-1.97140322E-01
24 6 8.83437440E+00 0.00000000E+00 0.00000000E+00-2.75527540E+00 6.41085860E-02
24 7 6.41085860E-02-2.57118214E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
25 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
25 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
25 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
25 4 0.00000000E+00 0.00000000E+00 7.94553766E-01 0.00000000E+00 0.00000000E+00
25 5 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
25 6 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
25 7 0.00000000E+00 0.00000000E+00-7.47436964E-01 0.00000000E+00 0.00000000E+00
26 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
26 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
26 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.88103746E-01
26 4-6.88103746E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
26 5 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
26 6 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-6.47299399E-01
26 7 6.47299399E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
27 1 0.00000000E+00 0.00000000E+00-5.34743024E-01 0.00000000E+00 0.00000000E+00
27 2 0.00000000E+00 0.00000000E+00 2.86752527E-01 0.00000000E+00 0.00000000E+00
27 3 0.00000000E+00 4.75500099E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
27 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.78166317E-01 0.00000000E+00
27 5 0.00000000E+00 0.00000000E+00-2.81022224E-02 0.00000000E+00 0.00000000E+00
27 6 0.00000000E+00-5.34631075E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
27 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.30292355E-01 0.00000000E+00
28 1 0.00000000E+00 0.00000000E+00 0.00000000E+00-5.34743024E-01 0.00000000E+00
28 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.86752527E-01 0.00000000E+00
28 3 0.00000000E+00 0.00000000E+00 4.75500099E-01 0.00000000E+00 0.00000000E+00
28 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.78166317E-01
28 5 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.81022224E-02 0.00000000E+00
28 6 0.00000000E+00 0.00000000E+00-5.34631075E-01 0.00000000E+00 0.00000000E+00
28 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.30292355E-01
29 1-6.30819645E-01-4.71286605E-01 0.00000000E+00 0.00000000E+00 3.77122259E-01
29 2-1.67227892E-01-4.41093690E-01 0.00000000E+00 0.00000000E+00-3.58523274E-01
29 3-2.09396242E+00 0.00000000E+00 0.00000000E+00-2.25884370E+00-5.57126482E-01
29 4-5.57126482E-01 2.53429717E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
29 5-4.66752829E-02-1.18269076E+00 0.00000000E+00 0.00000000E+00 1.98528489E-01
29 6 4.27001789E+00 0.00000000E+00 0.00000000E+00-2.09392538E+00-3.07718568E-01
29 7-3.07718568E-01 8.10097635E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
30 1 2.11166875E-01-7.65768017E-01 0.00000000E+00 0.00000000E+00-2.80237557E-01
30 2-9.07277956E-03-1.71641952E+00 0.00000000E+00 0.00000000E+00-1.27659578E+00
30 3-2.52085711E+00 0.00000000E+00 0.00000000E+00-1.89077086E+00 6.95094908E-01
30 4 6.95094908E-01-6.11504211E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
30 5-6.30915648E-02-7.36644739E-02 0.00000000E+00 0.00000000E+00-7.20564699E-01
30 6 4.08051062E+00 0.00000000E+00 0.00000000E+00-1.96640702E+00-6.50119086E-01
30 7-6.50119086E-01 1.27545169E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
31 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.43986203E-01 0.00000000E+00
31 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.15859362E-02 0.00000000E+00
31 3 0.00000000E+00 0.00000000E+00-1.06537142E-03 0.00000000E+00 0.00000000E+00
31 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.30097212E-01
31 5 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.84437619E-01 0.00000000E+00
31 6 0.00000000E+00 0.00000000E+00-1.54654007E-01 0.00000000E+00 0.00000000E+00
31 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.94558036E-01
32 1 0.00000000E+00 0.00000000E+00 9.43986203E-01 0.00000000E+00 0.00000000E+00
32 2 0.00000000E+00 0.00000000E+00 8.15859362E-02 0.00000000E+00 0.00000000E+00
32 3 0.00000000E+00-1.06537142E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
32 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.30097212E-01 0.00000000E+00
32 5 0.00000000E+00 0.00000000E+00-1.84437619E-01 0.00000000E+00 0.00000000E+00
32 6 0.00000000E+00-1.54654007E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
32 7 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.94558036E-01 0.00000000E+00
33 1-4.24499653E-01-1.31359802E+00 0.00000000E+00 0.00000000E+00-9.00588745E-01
33 2-3.36878150E-01 2.33786336E+00 0.00000000E+00 0.00000000E+00-3.76896660E-01
33 3 2.25735567E-01 0.00000000E+00 0.00000000E+00-1.66701260E+00-1.46516151E+00
33 4-1.46516151E+00-6.37828355E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
33 5-9.19711920E-02-1.52336708E-01 0.00000000E+00 0.00000000E+00 9.26301359E-02
33 6 2.15770456E+00 0.00000000E+00 0.00000000E+00-7.44190289E-01-2.25497305E-01
33 7-2.25497305E-01-2.76202446E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
34 1-1.42516547E-01-1.20066279E+00 0.00000000E+00 0.00000000E+00 2.32773716E-01
34 2 7.47520551E-03-6.55804744E-02 0.00000000E+00 0.00000000E+00 4.63699945E-01
34 3-4.03239010E+00 0.00000000E+00 0.00000000E+00-3.81224629E+00 4.05941935E-02
34 4 4.05941935E-02 8.95093332E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
34 5-5.39552444E-01 3.59960566E-01 0.00000000E+00 0.00000000E+00 3.08362712E-01
34 6 8.17601931E+00 0.00000000E+00 0.00000000E+00-2.39164152E+00-1.67259203E+00
34 7-1.67259203E+00-1.59525377E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
35 1-1.29288161E+00-1.37448972E-01 0.00000000E+00 0.00000000E+00-1.33996598E+00
35 2 3.26638061E-01-1.46205201E+00 0.00000000E+00 0.00000000E+00 8.12783304E-02
35 3-1.90860484E-01 0.00000000E+00 0.00000000E+00-2.02171258E-01 7.05441931E-01
35 4 7.05441931E-01 3.34862278E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
35 5-1.01152998E-01-7.88935367E-01 0.00000000E+00 0.00000000E+00 1.07776743E+00
35 6 2.49540977E-01 0.00000000E+00 0.00000000E+00 2.42318436E-01 2.32353017E-02
35 7 2.32353017E-02-8.40234263E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
$END
Link to the log file of this example.
exam33 Log File
created on 6/20/2013