>>EXPORT  MOLCAS_NOCHECK=MLTPL,RASSCF_ITER,E_RASSCF,E_RASSI,ESO_LOW

&SEWARD &END
AMFI
DOUG
SYMM
XYZ
Basis Set
Cu.ANO-RCC...5s4p2d1f.
 Cu                 0.0    0.0   0.0  Angstrom
End of Basis Set
XFIELD
6 Angstrom
             1.9    0.1   0.3   -1.00000 .0 .0 .0  Angstrom
            -0.7    2.1   0.1   -1.10000 .0 .0 .0  Angstrom
            -0.6   -1.0   2.0   -1.20000 .0 .0 .0  Angstrom
            -1.9   -0.4  -0.3   -1.30000 .0 .0 .0  Angstrom
             0.5   -2.1  -0.6   -1.40000 .0 .0 .0  Angstrom
             1.1    1.3  -2.0   -1.50000 .0 .0 .0  Angstrom
NoCD
End of Input

>> COPY StartOrb INPORB

&RASSCF
LUMORB
Symmetry
1
Spin
2
nActEl
9 0 0
Inactive
3 6
Ras2
5 0
CIROOT
5 5 1
Levshft
1.00
ORBL
ALL
ORBA
FULL
End of Input


&RASSI  &END
MEES
PROP
3
'ANGMOM' 1
'ANGMOM' 2
'ANGMOM' 3
NR  OF  JOBIPHS
1 5
1 2 3 4 5
SpinOrbit
EJOB
End Of Input

&SINGLE_ANISO
MLTP
1
2
MVEC
2
0.0 0.0 1.0
0.0 1.0 0.0
HINT
0.0 7.0 28
TMAG
3  1.0 3.0 9.0
TINT
0.0 300 104
End of Input

****

>> FILE StartOrb
#INPORB 1.1
#INFO
* RASSCF average (pseudo-natural) orbitals
       0       2       0
      15      19
      15      19
*BC:HOST testpc PID 2892 DATE Mon Nov  4 22:44:19 2013
#EXTRAS
* ACTIVE TWO-EL ENERGY
0.353530952967E+02
#ORB
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0.323051617040E+00-.311616531163E-01-.896970679812E+00
#OCC
* OCCUPATION NUMBERS
0.200000000000E+010.200000000000E+010.200000000000E+010.180000000000E+01
0.180000000000E+010.180000000000E+010.180000000000E+010.180000000000E+01
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+00
0.200000000000E+010.200000000000E+010.200000000000E+010.200000000000E+01
0.200000000000E+010.200000000000E+010.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+00
#ONE
* ONE ELECTRON ENERGIES
-.329903333879E+03-.391238359352E+02-.263975301849E+010.000000000000E+00
0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.231665100110E+010.293542104053E+010.442015121247E+010.443239683692E+01
0.445607786499E+010.451375911917E+010.459063169506E+01
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-.833162428427E+00-.827287860244E+000.292110511364E+010.309491630565E+01
0.316004523483E+010.578955590997E+010.584429768662E+010.586208370988E+01
0.793854571403E+010.794011998711E+010.794780879025E+010.795500575640E+01
0.796314084759E+010.797815740641E+010.798487263023E+01
#INDEX
* 1234567890
0 iii22222ss
1 sssss
* 1234567890
0 iiiiiissss
1 sssssssss
>> EOF

>>FILE checkfile
* This file is autogenerated:
* Molcas version 24.06-77-g7ee3604a8
* Linux otis 5.15.0-119-generic #129-Ubuntu SMP Fri Aug 2 19:25:20 UTC 2024 x86_64 x86_64 x86_64 GNU/Linux
* Wed Aug 21 13:39:50 2024
*
#>>   1
#> SEWARD_MLTPL1X="0.000000178733"/5
#> SEWARD_KINETIC="13723324.500000007451"/5
#> SEWARD_ATTRACT="-139975.520754596160"/5
#> POTNUC="-104.092604851716"/12
#> SEWARD_MLTPL1X="0.023217266741"/5
#> SEWARD_KINETIC="443.667780968771"/5
#> SEWARD_ATTRACT="-860.968902305527"/5
#>>   2
#>>   3
#>>   4
#> GTENS_MAIN[0]="0.828162960245"/4
#> GTENS_MAIN[1]="0.834319680089"/4
#> GTENS_MAIN[2]="0.990678689790"/4
#> TEMPERATURE[0]="1"/5
#> TEMPERATURE[1]="3"/5
#> TEMPERATURE[2]="9"/5
#> TEMPERATURE[3]="0.000100000000"/5
#> TEMPERATURE[4]="2.912621359223"/5
#> TEMPERATURE[5]="5.825242718447"/5
#> TEMPERATURE[6]="8.737864077670"/5
#> TEMPERATURE[7]="11.650485436893"/5
#> TEMPERATURE[8]="14.563106796117"/5
#> TEMPERATURE[9]="17.475728155340"/5
#> TEMPERATURE[10]="20.388349514563"/5
#> TEMPERATURE[11]="23.300970873786"/5
#> TEMPERATURE[12]="26.213592233010"/5
#> TEMPERATURE[13]="29.126213592233"/5
#> TEMPERATURE[14]="32.038834951456"/5
#> TEMPERATURE[15]="34.951456310680"/5
#> TEMPERATURE[16]="37.864077669903"/5
#> TEMPERATURE[17]="40.776699029126"/5
#> TEMPERATURE[18]="43.689320388350"/5
#> TEMPERATURE[19]="46.601941747573"/5
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#> MAGN_AVERAGED[81]="0.815144661933"/5
#> MAGN_AVERAGED[82]="0.838088761135"/5
#> MAGN_AVERAGED[83]="0.860226051702"/5
#> MAGN_VECT_X(2)_____="0.021028295533"/4
#> MAGN_VECT_X(NH/2)__="0.062459982953"/4
#> MAGN_VECT_X(NH)____="0.062576263822"/4
#> MAGN_VECT_Y(2)_____="0.080383310175"/4
#> MAGN_VECT_Y(NH/2)__="0.238702743265"/4
#> MAGN_VECT_Y(NH)____="0.239050554448"/4
#> MAGN_VECT_Z(2)_____="0.678080214149"/4
#> MAGN_VECT_Z(NH/2)__="2.014431251724"/4
#> MAGN_VECT_Z(NH)____="2.018750311422"/4
>>EOF