>>EXPORT  MOLCAS_NOCHECK=MLTPL,RASSCF_ITER,E_RASSCF,E_RASSI,ESO_LOW
&SEWARD
AMFI
DOUG
SYMM
XYZ
Basis Set
Ni.ANO-RCC...6s5p3d2f1g.
 Ni                 0.00000000    0.00000000    0.00000000  Angstrom
End of Basis Set
Basis Set
O.ANO-rcc...3s2p.
 O                  0.00000000    1.26750598   -0.70500000  Angstrom
End Of Basis
NoCD
End of Input

>>COPY StartOrb INPORB
&RASSCF
LUMORB
Symmetry
1
Spin
3
nActEl
8 0 0
Inactive
8 11
Ras2
5 0
CIROOT
10 10 1
Levshft
1.00
ORBL
ALL
ORBA
FULL
End of Input
>>COPY $Project.JobIph JOB001
>>RM $Project.JobIph
>>RM $Project.RasOrb

&RASSCF
LUMORB
Symmetry
1
Spin
1
nActEl
8 0 0
Inactive
8 11
Ras2
5 0
CIROOT
15 15 1
Levshft
1.00
ORBL
ALL
ORBA
FULL
End of Input
>>COPY $Project.JobIph JOB002

&RASSI  &END
MEES
PROP
3
'ANGMOM' 1
'ANGMOM' 2
'ANGMOM' 3
NR  OF  JOBIPHS
2 10 15
1 2 3 4 5 6 7 8 9 10
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
SPIN
EJOB
End Of Input

&SINGLE_ANISO
MVEC
1
1.0 0.0 0.0
MLTP
1
3
ZJPR
0.0
ENCU
50 85
MAVE
1 8
HINT
0.0 5.0 23
POLY
End of Input

>> FILE StartOrb
#INPORB 1.1
#INFO
* RASSCF average (pseudo-natural) orbitals
       0       2       0
      39      38
      39      38
*BC:HOST testpc PID 8612 DATE Tue Nov  5 14:26:06 2013
#EXTRAS
* ACTIVE TWO-EL ENERGY
0.216660260360E+02
#ORB
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#OCC
* OCCUPATION NUMBERS
0.200000000000E+010.200000000000E+010.200000000000E+010.200000000000E+01
0.200000000000E+010.200000000000E+010.200000000000E+010.200000000000E+01
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0.000000000000E+000.000000000000E+000.000000000000E+000.000000000000E+00
0.000000000000E+000.000000000000E+00
#ONE
* ONE ELECTRON ENERGIES
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0.270326731482E+010.285221270195E+010.285221270196E+010.287091171424E+01
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0.976114090581E+010.977415184807E+010.977415184807E+010.104472197534E+02
0.104472197535E+020.117035122961E+02
#INDEX
* 1234567890
0 iiiiiiii22
1 222sssssss
2 ssssssssss
3 sssssssss
* 1234567890
0 iiiiiiiiii
1 isssssssss
2 ssssssssss
3 ssssssss
>> 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="0.000000468623"/5
#> SEWARD_KINETIC="7572015"/5
#> SEWARD_ATTRACT="-100395.314694222805"/5
#> POTNUC="175.130246769574"/12
#> SEWARD_MLTPL1X="0.023997980977"/5
#> SEWARD_KINETIC="410.641405095278"/5
#> SEWARD_ATTRACT="-805.858556540172"/5
#>>   2
#>>   3
#>>   4
#>>   5
#> GTENS_MAIN[0]="0.997761643406"/4
#> GTENS_MAIN[1]="0.997761643391"/4
#> GTENS_MAIN[2]="0.996193967616"/4
#> TEMPERATURE[0]="2"/5
#> TEMPERATURE[1]="0.000100000000"/5
#> TEMPERATURE[2]="1"/5
#> TEMPERATURE[3]="2"/5
#> TEMPERATURE[4]="3"/5
#> TEMPERATURE[5]="4"/5
#> TEMPERATURE[6]="5"/5
#> TEMPERATURE[7]="6"/5
#> TEMPERATURE[8]="7"/5
#> TEMPERATURE[9]="8"/5
#> TEMPERATURE[10]="9"/5
#> TEMPERATURE[11]="10"/5
#> TEMPERATURE[12]="11"/5
#> TEMPERATURE[13]="12"/5
#> TEMPERATURE[14]="13"/5
#> TEMPERATURE[15]="14"/5
#> TEMPERATURE[16]="15"/5
#> TEMPERATURE[17]="16"/5
#> TEMPERATURE[18]="17"/5
#> TEMPERATURE[19]="18"/5
#> TEMPERATURE[20]="19"/5
#> TEMPERATURE[21]="20"/5
#> TEMPERATURE[22]="21"/5
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#> CHIT_THETA[298]="1.160746600733"/5
#> CHIT_THETA[299]="1.160838062295"/5
#> CHIT_THETA[300]="1.160929425144"/5
#> CHIT_THETA[301]="1.161020690983"/5
#> MAGN_AVERAGED[0]="0.000006806271"/5
#> MAGN_AVERAGED[1]="0.015465834375"/5
#> MAGN_AVERAGED[2]="0.030928394218"/5
#> MAGN_AVERAGED[3]="0.046384411668"/5
#> MAGN_AVERAGED[4]="0.061830626866"/5
#> MAGN_AVERAGED[5]="0.077263793512"/5
#> MAGN_AVERAGED[6]="0.092680683315"/5
#> MAGN_AVERAGED[7]="0.108078090378"/5
#> MAGN_AVERAGED[8]="0.123452835513"/5
#> MAGN_AVERAGED[9]="0.138801770456"/5
#> MAGN_AVERAGED[10]="0.154121781988"/5
#> MAGN_AVERAGED[11]="0.169409795935"/5
#> MAGN_AVERAGED[12]="0.184662781040"/5
#> MAGN_AVERAGED[13]="0.199877752695"/5
#> MAGN_AVERAGED[14]="0.215051776522"/5
#> MAGN_AVERAGED[15]="0.230181971796"/5
#> MAGN_AVERAGED[16]="0.245265514694"/5
#> MAGN_AVERAGED[17]="0.260299641369"/5
#> MAGN_AVERAGED[18]="0.275281650846"/5
#> MAGN_AVERAGED[19]="0.290208907715"/5
#> MAGN_AVERAGED[20]="0.305078844644"/5
#> MAGN_AVERAGED[21]="0.319888964683"/5
#> MAGN_AVERAGED[22]="0.334636843371"/5
#> MAGN_VECT_X(2)_____="0.023198218769"/4
#> MAGN_VECT_X(NH/2)__="0.230713650899"/4
#> MAGN_VECT_X(NH)____="0.497163707149"/4
#> MAGN_VECT_Y(2)_____="0.000000001098"/4
#> MAGN_VECT_Y(NH/2)__="0.000000000273"/4
#> MAGN_VECT_Y(NH)____="-0.000000000771"/4
#> MAGN_VECT_Z(2)_____="0.000000002224"/4
#> MAGN_VECT_Z(NH/2)__="0.000000002962"/4
#> MAGN_VECT_Z(NH)____="0.000000003855"/4
>>EOF