 2mocoef
header
                     4
MO-coefficients from mcscf.x                                                    
 with dummy occupation 1.0 for active orbitals                                  
 total ao core energy =  187.681097091                                          
MCSCF energy =   -6989.390446673                                                
                     1
                   107                   107
 A  
mocoef
(1p3d25.15)                             
   -2.232686270712097D-06   -8.348054717212851D-06    1.945947713597139D-05
    2.765765680289032D-06    2.323992062090184D-06   -1.373765141466035D-14
    4.127724297306711D-05    5.608170972752361D-05   -6.189320578865681D-13
    2.551690969418477D-06    2.852581978517022D-13    1.582836972587535D-06
   -1.310555516865676D-13    8.618433949562083D-06   -6.366810985583140D-06
   -2.241583021107816D-05    9.623707737119483D-05    3.890246294284505D-07
   -5.965681793745977D-06   -1.020319780719144D-13    5.146042325464132D-06
    6.108763278453398D-05    3.081897822768903D-14    6.307112441324680D-07
   -3.450024775254741D-13   -2.351537070833839D-06    3.156139373604313D-13
    6.332952627029045D-06    3.496686494928399D-01   -6.906021971249029D-01
    6.191463327318562D-02    7.398364992067400D-03   -1.628942031467064D-03
   -7.196443279983927D-04    4.896259581430811D-04   -3.613404655422771D-04
    7.597179078674023D-05    3.815103067070225D-08   -4.787877059970370D-07
    8.048271140682849D-14    1.738865254094896D-08    1.157995422975654D-06
   -1.861117685059376D-13    7.204098923859244D-08    1.680643592427832D-06
   -1.902649763798372D-13    1.191785018525797D-07    2.406398569104535D-06
   -7.260998720140058D-14   -1.779658612630150D-07   -1.685329826745195D-05
    1.843325684863497D-13   -1.712369083057196D-05    8.195868924126137D-05
   -7.505092327012338D-13    3.354287917620798D-06   -2.447875326896154D-05
    1.522290351342450D-13    1.258334886371267D-07    9.209729730032688D-15
    1.205431399173621D-08    8.163474049978806D-15   -4.500600523581784D-09
   -9.750014733884590D-07   -3.081328200133047D-14   -9.924254240922628D-08
   -7.939143649271672D-15    3.831829999903429D-08    2.088360070415162D-06
    4.226285424625062D-14    2.208570266801997D-07   -8.563059747377050D-15
    2.383435734554324D-08    1.251325472736148D-05    5.668980921528822D-13
    4.657429687231102D-06   -1.250569487305938D-13    1.112241891997692D-05
    2.364980583489017D-08   -1.080455322288474D-14    9.359119489085439D-08
   -1.521943639220597D-14   -1.980120720800945D-08   -3.529311610358210D-14
    1.884272182323525D-07   -4.882871095404909D-08    1.228620922769080D-14
   -3.151610724544520D-07   -3.361785079913071D-14    7.779910562748880D-08
    2.087585246069471D-14   -7.699635237515438D-07   -2.139769968058236D-05
   -2.933413578277572D-06    2.665478140220592D-06   -5.035836179476194D-06
    3.320738925471500D-14   -2.887967998922496D-05   -1.510796487547818D-06
   -6.264453469060689D-06   -6.635056993171367D-07   -1.931253901845958D-13
    1.210504097327760D-05    1.265197035011462D-05   -3.494443620199103D-06
    9.254226351026412D-07    1.103962068208576D-13
   -4.696645109633789D-05   -1.775647514168295D-04    4.128332691447827D-04
    5.983529723161803D-05    4.721102163541004D-05   -5.891019363383240D-13
    8.946027562059368D-04    1.210463964093284D-03   -1.285376162404515D-11
    5.578226292469677D-05    6.022071213352980D-12    3.477821419957125D-05
   -2.862407062211082D-12    1.868666604937385D-04   -1.375534654475020D-04
   -4.839689386083252D-04    2.081332476212045D-03    9.595490949429072D-06
   -1.291502811772821D-04   -1.252304637448535D-12    1.104810863190458D-04
    1.322040648187550D-03   -3.689298434921995D-13    1.342063883787385D-05
   -7.577827881165420D-12   -5.079333001044826D-05    6.565215014389653D-12
    1.361129907231292D-04   -1.227483506680928D-01    3.879730510324464D-01
    6.686122626081871D-02   -1.014327773096407D+00   -5.579136147044901D-02
   -1.704062333106740D-02    1.077329853111173D-02   -7.864763204120787D-03
    1.653539558814391D-03    4.605193950636146D-06   -2.260264796572470D-05
    8.815729265556703D-15    2.217269800379441D-06    1.246896767385781D-05
   -3.796138275655769D-13    1.709490439672327D-06    3.190845838878225D-05
   -6.945437748699663D-14    2.377456058301172D-06    5.194946115955802D-05
   -5.592487049757544D-13   -3.103186845989656D-06   -3.678683999334921D-04
    4.632044351445477D-12   -3.699947820141692D-04    1.770890973532629D-03
   -1.903868784428455D-11    7.268167632999565D-05   -5.302353261845635D-04
    5.149762723177120D-12    2.279907320996915D-06   -9.069630671042521D-14
    5.341858656667442D-08    6.184772512428398D-14   -3.809318557615231D-07
   -2.058779109816229D-05    7.281402631744124D-15   -1.983398132301414D-06
    3.316441453849820D-13    1.218224381825103D-06    4.438435205713470D-05
    1.230605503137093D-13    4.521310333162981D-06   -5.928432673633483D-13
   -1.312209826799525D-07    2.702023693849976D-04    1.211715283901324D-11
    1.005265291862715D-04   -2.258900383058469D-12    2.400335579963289D-04
    4.117573798551947D-07   -9.622842420229249D-14    1.927858681304609D-06
    2.415779912401759D-13   -4.115828467131589D-07    2.205129380003265D-14
    3.850625972221170D-06   -8.697152750933949D-07    5.070826410818439D-13
   -6.641542787128293D-06   -3.692013728741735D-13    1.649650012118853D-06
    3.609815459493138D-13   -1.623374124210173D-05   -4.604304347709837D-04
   -6.641686820651666D-05    5.736243668539317D-05   -1.078547245808289D-04
    7.281588080635770D-13   -6.222848758588079D-04   -3.480207126567976D-05
   -1.347769557905167D-04   -1.431230691713288D-05   -5.177867043390401D-12
    2.602121784513065D-04    2.740815027518190D-04   -7.516909118941961D-05
    1.943517035796170D-05    2.173046453711449D-12
    2.956059430119933D-06    8.855278367708256D-06   -2.200210826176716D-05
    3.824812448497616D-07   -2.397528057979451D-06   -3.931126176838620D-14
    1.760586401943278D-05   -1.628741796506432D-05   -1.926384485932362D-13
    1.039818267666539D-06   -1.138588884736250D-13    1.490248822528710D-06
   -1.838517559961934D-13    3.378105941944441D-06   -2.670491620002726D-07
   -2.696939603920859D-07    1.353514537568094D-05    1.987819694648771D-06
   -1.704516381411819D-07    2.823919090187325D-13   -1.051577277202391D-05
    1.538339655026029D-05   -5.116205498685538D-13   -1.246405131467686D-07
    6.919503771327363D-14   -5.128665556553880D-07    3.140451541655907D-15
    8.327152854692455D-07    2.901103101177924D-06   -9.368901448778307D-06
   -2.770211844762181D-06    2.344630181641004D-05   -6.558191834952321D-07
   -1.420033734431431D-06   -4.213885728485155D-06    1.937749607812396D-05
   -1.006037048862025D-06    3.268232581904512D-01   -8.401649478916651D-01
    4.237611887969777D-08    5.270190825284110D-02   -1.354799815559148D-01
    6.833336083981001D-09   -1.831164430218251D-03    4.708509310985486D-03
   -2.375375328627489D-10   -1.122311687448078D-04    2.901867376137551D-04
   -1.484169345756404D-11    2.845722067910539D-05   -8.179653597973754D-05
    4.145292598629425D-12   -1.979613096165252D-05    5.188613091785713D-05
   -3.064867570021632D-12    9.798456274188833D-06   -2.552861232922357D-05
    1.426671310076676D-12   -6.214492442242052D-07    3.638009202202723D-13
   -1.711721139093225D-07   -2.318115021053658D-14   -3.984254852833950D-07
    1.032483314282290D-06   -4.110339124899607D-14    4.829312784227949D-07
    3.028173069803478D-13    1.382327308323713D-06   -1.551645145082254D-06
   -3.697382205611972D-14   -8.024191309501246D-07    1.100825110278084D-13
   -2.326863875446616D-06   -1.925585636621587D-06   -1.549555753109056D-13
   -4.493705372654061D-07    5.797876946987220D-13   -1.290027076089707D-06
   -1.215961915582542D-07    6.241123553906262D-14   -7.563014978411674D-08
    5.902258578804002D-14    1.921113079431753D-08    6.203080502704358D-15
   -2.723090588467555D-07    4.496848235902180D-07   -8.146564829397634D-14
    2.938061171147953D-07   -2.362900045681678D-14   -7.371116022826718D-08
   -8.714453787918927D-14    1.010242966133779D-06   -1.523049527913428D-06
   -1.041235666252595D-05    1.061226857474557D-06    1.926555020678924D-06
   -4.390383296769345D-14   -7.611455464163392D-06   -3.857792528750408D-06
   -1.078799404476260D-06    5.421784072744117D-07    2.170412495888096D-13
    4.148360522549401D-06   -6.737091097256419D-08   -5.398946047661839D-07
   -9.699463793080123D-07    2.990677243940198D-13
   -1.145979318489340D-06   -3.894718363904599D-06    1.833055167633191D-05
    7.601325301540672D-07   -3.584122322978840D-07    5.562959079189696D-14
   -1.306689894975409D-05   -3.119401722527399D-07    2.568671890169076D-13
   -2.496591561537156D-06    1.985886134600187D-13   -3.846881535522454D-07
    3.869854542683337D-13    3.917485716604198D-07    1.571704194717311D-06
    5.521019647136440D-06   -2.201656945073093D-05   -9.688730863986821D-08
    1.373469622656117D-06    1.592006646946133D-13   -2.787228396731926D-08
   -1.464433509521825D-05    1.227321026826646D-13    3.843937677669214D-07
   -7.171906579976932D-14    3.652440894058057D-07    1.000655102724626D-13
    6.272523270800159D-07   -3.697647842407044D-07    1.195557747883472D-06
    3.579998392904531D-07   -3.053643664930090D-06    3.506031583125147D-07
    6.248767894748857D-07   -4.129537499364890D-08   -3.459681336059664D-06
    5.452033991831940D-07    8.401648225998267D-01    3.268234198285229D-01
    2.072641144960266D-08    1.354808204418458D-01    5.270157986139674D-02
    3.342128189085711D-09   -4.706895660709547D-03   -1.831422274254435D-03
   -1.161733466380866D-10   -2.878696978449416D-04   -1.126357472880621D-04
   -6.988733318104049D-12    7.020430947112847D-05    3.097534619201422D-05
    1.327658062942462D-12   -5.514408456567080D-05   -2.294546353244101D-05
   -9.633713787382775D-13    2.473174691838195D-05    1.066687397971338D-05
    3.736179681761852D-13   -9.782968604665049D-07   -1.726640662390149D-13
    1.976748539230145D-08   -3.100892931770896D-13    3.235383033290311D-07
    4.171264012183837D-07    1.880134268771992D-13   -9.998754523267304D-08
    3.600484991005119D-13   -4.413815001273482D-07   -3.708799430494371D-07
   -4.802220688182553D-14    1.783488487142818D-07    1.868310460385540D-14
    6.872564539522796D-07    4.459836853159528D-07    9.516835189711623D-15
   -4.770058344505656D-08   -5.542198004404416D-13    1.643017919269464D-07
    3.589609354197706D-08    1.098365399349183D-13    6.434354415808361D-09
   -1.062247431634665D-14   -8.383310516121110D-10   -2.623307471015829D-14
   -4.829044392281607D-09   -1.728824727655705D-07   -2.479956786279959D-13
   -3.432330774138092D-08    7.299103799702444D-14   -1.248688561280655D-08
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    7.947932023067269D-07   -1.230620127078388D-13
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   -1.534176821007037D-12    9.317908575508188D-13    1.651864868898374D-06
    4.257741143945001D-14   -2.078560867367284D-06   -2.910582057213346D-14
    3.469240718130115D-07   -1.726050672430172D-13    4.752608570487998D-13
    1.195654936602969D-12   -2.420770035883122D-12   -6.404596145295771D-13
   -1.673828348252609D-13   -5.677109205946775D-08    1.425101116159197D-12
    4.476644323121963D-13   -6.358926199210300D-07    1.145515836844133D-13
    4.280860365865480D-07    6.291405680716174D-14   -7.519500887652172D-07
    5.909058589883174D-14   -3.051022183792316D-14    7.273642911834241D-13
    2.271925076949296D-13   -1.422089356501848D-12    2.250891772777642D-13
    9.979710807191917D-14    2.328816515686925D-13   -8.059065232097871D-13
   -3.752875770267427D-13   -3.467917406784870D-08    3.197918392143000D-08
    9.014940217426242D-01   -5.592238869514950D-09    5.156897876452035D-09
    1.453694907703686D-01    1.942363247769161D-10   -1.791535683018698D-10
   -5.050573252135922D-03    1.169546682077252D-11   -1.107709164941128D-11
   -3.088845165539913D-04   -2.723196676121094D-12    3.388046337625647D-12
    7.496358747140637D-05    2.174778982726893D-12   -1.971272063297019D-12
   -5.926245404803763D-05   -1.020895295533064D-12    1.271844927457735D-12
    2.663397088905685D-05    8.203440549231671D-14   -1.066541600856941D-06
   -7.517473672520309D-14    2.524325424173322D-07   -1.067438200389034D-13
   -2.544338755760831D-14    3.770614642408551D-07   -1.826523560938785D-14
   -9.932391806323910D-08    7.398445578552461D-14   -6.059101092952631D-14
   -1.951738374207545D-07    6.936869952504648D-14    6.416737158422498D-08
    2.543265567855949D-14    1.079672894977730D-13    4.365930965150614D-07
    3.241100166107304D-14   -1.447373787843260D-07    2.030146346370664D-13
   -3.837120499976638D-14   -1.029947169094323D-08    1.371007240522812D-14
    5.411331298040815D-09   -2.473963209311014D-14    1.069693517047263D-09
   -3.506265893473002D-14    1.614517264037014D-14   -6.252658102944900D-08
   -2.649976081322613D-14    4.995765728375116D-08   -2.943451185610645D-14
   -7.719998238051760D-08   -1.092413934977776D-13   -1.990804218644274D-13
    1.797081623179308D-12   -2.031864612441590D-13   -3.850168420326897D-13
   -7.918261491730126D-08   -2.505041610897964D-13    1.156305907440161D-12
    9.998612685390736D-14   -2.653992632919101D-13   -1.348492743563242D-07
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    2.022494918882155D-13    1.913618252597788D-07
    2.804855329642316D-05    9.111681726053346D-05   -2.411298061391730D-04
   -1.592770757486298D-05   -3.081428900871900D-05    1.055304699721226D-12
   -2.488001381017549D-04   -4.220710537398551D-04    1.821117311847462D-12
   -8.837962372001305D-06   -4.498587500137228D-13   -5.464756358490526D-06
    6.665669310724774D-13   -4.480851197460673D-05    4.226386185032480D-05
    1.508539469886343D-04   -6.197691963356467D-04    1.042915272397592D-06
    4.054924460653729D-05   -1.837671047780967D-12   -4.391017807798354D-05
   -3.972931409380474D-04    2.523635649721566D-12   -6.940981801064981D-06
    2.003036667774375D-12    1.376352743473910D-05   -1.674364880667010D-12
   -3.960052361591135D-05   -5.540545298582473D-02    1.891152681564038D-01
    3.935199689262005D-02   -9.075331237399064D-01    1.296917959101128D+00
   -1.304868788612061D-02   -2.148601512954160D-03    2.277424582666752D-03
   -4.914567347977328D-04    1.128836079932886D-05   -4.192275227006866D-05
   -1.007059205017155D-11   -2.462005543000573D-06    4.288251041619686D-06
    3.927015022359305D-12    2.267692194071703D-05   -9.389082241504584D-05
   -1.837734658961546D-11   -7.625770190690832D-06    1.966151887192918D-05
    1.843385360670922D-13    9.311193553368462D-06    6.938957124644947D-05
   -1.100888786020172D-12    1.239281013378050D-04   -5.912331029448744D-04
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orbocc
(1p3d25.15)                             
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