# LR-CC2 reduced cost excited states calculation
charge=0
mult=1
calc=CC2
localc=2016
redcost_exc=on
mem=100GB
nsing=20
basis=def2-SVPD
ecp=auto
scfdamp=0.7
scflshift=0.3
scfmaxit=200

geom=xyz
57

  C   -1.70737579437031      0.50792852821108     -0.80239352313015
  C   1.56132251335673      0.56480309330490     -0.71649538863571
  S   -1.60042616250305      0.07289483063377     -2.56812590913329
  S   1.56075444209842      0.24401800160453     -2.50834956993303
  Fe  -0.05596275592734      1.18618760488932     -3.78882030223751
  Fe  0.07759895031302     -1.27454288148854     -3.28619917266261
  C   -0.18544440133983      2.83327974553504     -3.12053555589017
  C   -1.30754288083363      1.26073126611473     -5.06686787978180
  C   1.23530724916270      1.42709517183110     -5.00608097591734
  C   -1.14491740291006     -1.97412833705179     -4.39304830595652
  C   1.39882780262283     -1.81360413742705     -4.36692013673374
  C   0.15531011072048     -2.54458240533675     -2.03823436353773
  O   0.21546162577666     -3.36328033539882     -1.22525014430554
  O   2.24575094873384     -2.15722820041133     -5.07052384237344
  O   -1.92277674614668     -2.42010842927786     -5.11851384116451
  O   2.05899215569330      1.57669391289889     -5.79947384996350
  O   -2.10808381810560      1.30461923654653     -5.89603573900811
  O   -0.27643017817715      3.89525591371051     -2.67509020366044
  C   -0.14738874839930     -0.38055856763395      1.93774341713765
  C   -0.13828972382618      2.32395257713775      1.44747693159106
  C   -0.18353598674654      0.47176993111313      3.07035234648035
  C   -0.17603907687918      1.92404064380765      2.80722886760752
  H   2.16352247280443     -0.24080936520329     -0.28535616067935
  H   2.12585883333611      1.49413812337921     -0.59503386648460
  H   -2.33377356474690     -0.26955745661099     -0.35445936860639
  H   -2.27796725049078      1.44113735046048     -0.77768965222523
  Ge  -0.10446486572890      0.72335666802252      0.32135075878650
  C   -0.22099338982151     -0.10659680991988      4.34700595532245
  C   -0.22926389108942     -1.48812428664012      4.49266942418961
  C   -0.19459484992051     -2.34529308788216      3.37681523149136
  C   -0.14936315293893     -1.75938925309515      2.09373248842877
  C   -0.20108451016657      2.91396819776839      3.79994540287716
  C   -0.17840873247550      4.25869857635487      3.45148941917523
  C   -0.13667750552971      4.66917451737823      2.10553214609489
  C   -0.12254648586255      3.66988683147366      1.10911548716925
  H   -0.22868563237079      2.64390799687068      4.85141312613605
  H   -0.17761130559655      5.00563374855271      4.24081777929647
  H   -0.10953729756924      3.96861809503538      0.06530718129559
  H   -0.25276866907291      0.51539054342242      5.23641927199837
  H   -0.27801492493020     -1.90985590062085      5.49315585939743
  H   -0.10330381524028     -2.40493447368091      1.22301562048419
  C   -0.10654130061975      6.08239381234113      1.74022310796936
  S   -0.53464196608146      7.32615508584205      2.88796319038697
  C   0.23368931162216      6.65964440727897      0.53004139127786
  C   -0.25032805792992      8.58111993144220      1.74490659430678
  C   0.15394944903952      8.07619503736594      0.53395498043538
  C   -0.20471811998814     -3.79737581683646      3.52783350487693
  S   0.13983305035794     -4.55396944814558      5.06279901414390
  C   -0.06711430749452     -6.13430029066890      4.41264081435916
  C   -0.38463345118292     -6.09148407358387      3.07788703652329
  C   -0.46103997776078     -4.76692012443018      2.57486313910613
  H   -0.71868660119578     -4.53250131162860      1.54892536306685
  H   0.05841177985650     -6.99889014454649      5.05044756057809
  H   -0.56290214556830     -6.97783979371823      2.47972245178296
  H   0.55364331490687      6.08272726230989     -0.33000275020942
  H   -0.39944738132704      9.61349611822816      2.03169391108528
  H   0.39087281846315      8.69862217037196     -0.32141827262871
