Cu1CO Freq UB3LYP LANL2DZ Number of atoms I 3 Charge I 0 Multiplicity I 2 Number of electrons I 33 Number of alpha electrons I 17 Number of beta electrons I 16 Number of basis functions I 40 Number of independant functions I 40 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Info1-9 I N= 9 14 12 1002 0 0 100 6 18 -501 Num ILSW I 100 ILSW I N= 100 1 0 0 0 2 0 0 0 0 0 402 200000 0 0 -1 0 0 0 0 800000 0 0 1 0 1 1 0 0 1000000 0 0 0 100000 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 720000 810000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Number of contracted shells I 18 Highest angular momentum I 2 Largest degree of contraction I 7 Number of primitive shells I 48 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Virial Ratio R 2.287938632137649E+00 SCF Energy R -3.094198623078457E+02 Total Energy R -3.094198623078457E+02 S**2 R 7.546188690411242E-01 S**2 after annihilation R 7.500056852992355E-01 RMS Force R 4.033377745762647E-05 RMS Density R 2.887600029496830E-09 Atomic numbers I N= 3 29 6 8 Nuclear charges R N= 3 1.90000000E+01 6.00000000E+00 8.00000000E+00 Current cartesian coordinates R N= 9 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -2.88831756E+00 -3.45368752E-02 9.38256496E-01 -1.53788533E+00 -1.79495443E+00 1.21348413E+00 Int Atom Types I N= 3 0 0 0 Force Field I 0 MM charges R N= 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 Integer atomic weights I N= 3 63 12 16 Real atomic weights R N= 3 6.29295992E+01 1.20000000E+01 1.59949146E+01 Atom residue info I N= 3 0 0 0 Atom fragment info I N= 3 0 0 0 Atom residue num I N= 3 0 0 0 Nuclear spins I N= 3 3 0 0 Nuclear ZEff R N= 3 -1.76900000E+01 -3.60000000E+00 -5.60000000E+00 Nuclear QMom R N= 3 -2.20000000E+01 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 3 2.22330000E+00 0.00000000E+00 0.00000000E+00 MicOpt I N= 3 -1 -1 -1 Constraint Structure R N= 9 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -2.88831756E+00 -3.45368752E-02 9.38256496E-01 -1.53788533E+00 -1.79495443E+00 1.21348413E+00 ONIOM Charges I N= 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ONIOM Multiplicities I N= 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom Layers I N= 3 0 0 0 Atom Modifiers I N= 3 0 0 0 Int Atom Modified Types I N= 3 0 0 0 Link Atoms I N= 3 0 0 0 Atom Modified MM Charges R N= 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 Link Distances R N= 12 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 MxBond I 2 NBond I N= 3 1 2 1 IBond I N= 6 2 0 1 3 2 0 RBond R N= 6 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 Shell types I N= 18 0 0 0 1 1 1 -2 -2 0 0 0 1 1 0 0 0 1 1 Number of primitives per shell I N= 18 3 4 1 3 1 1 4 1 7 2 1 4 1 7 2 1 4 1 Shell to atom map I N= 18 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 Primitive exponents R N= 48 8.17600000E+00 2.56800000E+00 9.58700000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 1.15300000E-01 3.96000000E-02 2.56300000E+01 3.16600000E+00 1.02300000E+00 8.60000000E-02 2.40000000E-02 4.13400000E+01 1.14200000E+01 3.83900000E+00 1.23000000E+00 3.10200000E-01 4.23300000E+03 6.34900000E+02 1.46100000E+02 4.25000000E+01 1.41900000E+01 5.14800000E+00 1.96700000E+00 5.14800000E+00 4.96200000E-01 1.53300000E-01 1.81600000E+01 3.98600000E+00 1.14300000E+00 3.59400000E-01 1.14600000E-01 7.81700000E+03 1.17600000E+03 2.73200000E+02 8.11700000E+01 2.71800000E+01 9.53200000E+00 3.41400000E+00 9.53200000E+00 9.39800000E-01 2.84600000E-01 3.51800000E+01 7.90400000E+00 2.30500000E+00 7.17100000E-01 2.13700000E-01 Contraction coefficients R N= 48 -4.21025989E-01 7.38592381E-01 5.52569186E-01 1.78766454E-01 -3.59227208E-01 -4.70482380E-01 1.08074072E+00 1.00000000E+00 -4.89173002E-02 6.27285402E-01 4.71618802E-01 1.00000000E+00 1.00000000E+00 4.65424016E-02 2.22782408E-01 4.53905916E-01 5.31476918E-01 1.00000000E+00 1.21999969E-03 9.34199761E-03 4.54519884E-02 1.54656960E-01 3.58865908E-01 4.38631888E-01 1.45917963E-01 -1.68366956E-01 1.06009072E+00 1.00000000E+00 1.85389998E-02 1.15435999E-01 3.86187996E-01 6.40113993E-01 1.00000000E+00 1.17600033E-03 8.96800252E-03 4.28680121E-02 1.43930040E-01 3.55630100E-01 4.61248130E-01 1.40206039E-01 -1.54153074E-01 1.05691451E+00 1.00000000E+00 1.95800005E-02 1.24200003E-01 3.94714010E-01 6.27376016E-01 1.00000000E+00 Coordinates of each shell R N= 54 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -4.15619039E+00 2.18640359E+00 -1.73883415E+00 -2.88831756E+00 -3.45368752E-02 9.38256496E-01 -2.88831756E+00 -3.45368752E-02 9.38256496E-01 -2.88831756E+00 -3.45368752E-02 9.38256496E-01 -2.88831756E+00 -3.45368752E-02 9.38256496E-01 -2.88831756E+00 -3.45368752E-02 9.38256496E-01 -1.53788533E+00 -1.79495443E+00 1.21348413E+00 -1.53788533E+00 -1.79495443E+00 1.21348413E+00 -1.53788533E+00 -1.79495443E+00 1.21348413E+00 -1.53788533E+00 -1.79495443E+00 1.21348413E+00 -1.53788533E+00 -1.79495443E+00 1.21348413E+00 Alpha Orbital Energies R N= 40 -1.92543152E+01 -1.03378424E+01 -4.32575617E+00 -2.83815156E+00 -2.83104827E+00 -2.82938972E+00 -1.16654831E+00 -5.77659186E-01 -4.82018364E-01 -4.66342666E-01 -4.44580648E-01 -3.09309996E-01 -3.09138949E-01 -3.02949413E-01 -3.02880858E-01 -2.94203048E-01 -1.79366184E-01 -8.21890115E-02 -8.04680451E-02 -1.45648269E-02 -5.79649280E-04 2.25322306E-02 7.76236871E-02 8.62238197E-02 1.00522135E-01 1.79503609E-01 2.94557342E-01 3.17191480E-01 4.81215095E-01 6.23342736E-01 6.51321657E-01 6.84078672E-01 7.08122184E-01 7.76671296E-01 7.78170861E-01 8.72643287E-01 8.84391786E-01 1.01879256E+00 1.64635908E+00 2.53008436E+00 Beta Orbital Energies R N= 40 -1.92513667E+01 -1.03338168E+01 -4.32484537E+00 -2.83841452E+00 -2.83032378E+00 -2.82855511E+00 -1.16041292E+00 -5.69374781E-01 -4.69018135E-01 -4.63082397E-01 -4.28108525E-01 -3.06907170E-01 -3.05965971E-01 -3.00606954E-01 -3.00548752E-01 -2.89665039E-01 -1.06926839E-01 -7.51194804E-02 -5.58069788E-02 -2.54342283E-03 6.53372225E-03 2.72026160E-02 8.57793000E-02 9.75735555E-02 1.13499498E-01 1.87420540E-01 3.04454860E-01 3.20117351E-01 4.91665312E-01 6.27336060E-01 6.55352755E-01 6.87038857E-01 7.17784934E-01 7.90473438E-01 7.91964660E-01 8.84298949E-01 8.97544784E-01 1.03225350E+00 1.65085266E+00 2.53973210E+00 Alpha MO coefficients R N= 1600 1.91728656E-04 2.56511816E-04 -1.05050606E-04 -8.02410223E-06 1.11524841E-05 -4.58269342E-06 -1.06956752E-04 9.18703443E-05 1.80669921E-04 -8.91042371E-05 1.32548951E-04 -8.79492933E-05 -8.23312484E-06 1.12753991E-05 -1.32873489E-05 -4.86359321E-06 -9.78903848E-06 5.60564715E-05 -8.65410910E-05 1.09379015E-04 4.22854977E-05 9.29298677E-05 8.83751797E-05 -5.90980939E-05 2.35868298E-03 -6.42838001E-05 9.15026026E-05 -4.58904923E-05 9.59672825E-04 -1.25219289E-03 2.00539110E-04 9.98807964E-01 6.74012362E-03 -4.93388550E-03 -1.08239661E-03 1.40938759E-03 -2.13762381E-04 1.00719626E-03 -1.30611398E-03 1.76101618E-04 1.01970565E-03 1.60760063E-03 9.03435927E-04 4.88547931E-05 -8.54767810E-05 1.02719820E-04 7.98244228E-04 -1.35429893E-03 1.49819791E-03 -7.48313826E-05 1.36210136E-04 -1.79839143E-04 -2.14632745E-05 1.34397584E-05 -1.27715565E-05 -7.11244923E-06 -1.89623733E-05 1.80600789E-04 1.09026589E-04 -2.29558253E-04 -5.16771153E-05 -6.32090822E-05 9.97668684E-01 1.41738998E-02 -5.83446728E-03 2.08248252E-03 -2.64757130E-03 1.38538261E-04 2.06724200E-04 -6.21021029E-04 1.53871368E-03 -2.06229799E-04 4.28099513E-04 -2.30168131E-03 2.57385250E-04 -3.53037993E-04 1.27008570E-04 1.21934358E-03 -1.49324219E-03 -1.61404579E-04 1.00181169E+00 8.39904397E-03 -2.74626876E-03 -1.12906012E-03 1.46112825E-03 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-1.04942609E-01 -1.75449708E-01 -4.08208788E-01 -4.66863188E-01 8.59302676E-01 2.33720932E-01 3.87924189E-01 -4.28001358E-02 2.89833766E-01 2.36005663E-01 -2.69048325E-01 4.32399574E-01 -4.02525560E-01 2.34849599E-02 -1.02116471E-01 3.09055082E-01 -1.75545713E-03 -4.04680399E-02 1.58083369E-01 -1.07495508E-01 9.31891219E-02 1.77899002E-01 2.14819405E-02 4.96613651E-02 -3.26160419E-01 3.27893473E-01 6.54144074E-01 -3.73276081E-02 1.03541797E-02 -1.66945138E-02 1.57198712E-02 3.65338923E-01 -5.31396622E-01 3.09207587E-01 -3.02254019E-02 5.82597202E-02 -8.64423946E-02 4.09457373E-02 -4.95671805E-02 5.76111040E-02 2.23884392E-02 4.78278219E-02 -1.21643203E-01 1.89686094E-01 -2.39085335E-01 -9.15234561E-02 -1.98971361E-01 -1.59856105E-02 9.83805357E-02 -2.78621179E+00 -2.69903597E-01 3.45879492E-01 -2.96099163E-02 -5.29896022E-01 5.43535569E-01 5.18805066E-01 8.40614738E-02 -1.94264672E+00 3.68767445E+00 -3.70042571E-02 3.74297891E-02 3.84735575E-02 -5.68033608E-01 7.98428753E-01 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2.13787467E-03 -1.45605044E-03 -5.12457372E-05 -1.18805137E-03 4.35352384E-05 1.11074734E-03 -5.47985155E-04 5.41454017E-05 -6.59699715E-04 1.29267037E-03 -3.25088257E-03 -5.34917419E-03 4.39638362E-03 -3.07997523E-03 -5.34201416E-03 6.63080059E-04 5.45021634E-04 1.13160281E-02 8.22231520E-03 6.06381471E-05 -3.52139296E-04 1.20670679E-03 -9.70321530E-04 2.05000423E-03 -6.20527052E-03 -1.69304070E-04 3.47289283E-04 -6.78583665E-04 4.02942571E-03 5.12599373E-04 -6.26658236E-04 5.55912861E-04 9.10907026E-04 1.22404775E-03 1.98659235E-04 1.45479282E-04 3.58776586E-04 2.82262481E-04 1.04292193E-03 -2.60834939E-03 -4.57328239E-03 2.46933423E-03 -1.09718204E-03 -4.51133942E-03 4.62651623E-04 6.81419774E-04 -4.83864293E-03 -8.82351622E-02 -6.59457871E-02 -4.88187378E-04 2.56011366E-03 -8.77403769E-03 7.14892680E-03 -1.88761753E-02 4.44455919E-02 1.98785610E-03 -3.64470347E-03 6.69347750E-03 -1.81679752E-02 -6.06723631E-03 1.57369360E-02 2.58009554E-03 2.63170228E-04 -4.04627600E-03 -2.44344048E-03 5.22989569E-03 1.13278816E-03 9.31792664E-04 -1.13231465E-02 2.83786144E-02 4.78488146E-02 -2.87241816E-02 2.52031695E-02 4.81904987E-02 -3.71180257E-03 -3.89513765E-03 3.64112632E-02 -2.24313145E-04 -4.30800735E-03 -3.01922350E-03 -4.94096618E-06 7.02335609E-05 -2.91856580E-04 3.18052386E-04 -7.57642225E-04 1.63494957E-03 1.08348043E-04 -1.94361237E-04 3.31874101E-04 -9.59767926E-04 -4.72539489E-05 3.92765512E-04 -1.33270281E-05 -2.72278246E-04 -3.33198669E-04 -9.39914259E-05 2.44962597E-04 2.46250132E-05 -5.44303104E-05 -5.54506439E-04 1.56429815E-03 2.61829078E-03 -1.33542170E-03 9.17431729E-04 3.29484979E-03 1.93132477E-05 -4.37500878E-04 1.75225100E-03 2.54642899E-04 5.36479430E-04 9.87941370E-03 6.93745248E-03 2.25344007E-05 -1.67229830E-04 6.33794586E-04 -7.30952240E-04 1.66358346E-03 -3.41155589E-03 -2.49214059E-04 4.48486000E-04 -7.69739396E-04 1.90962011E-03 1.34647297E-04 -8.50025577E-04 7.59480585E-07 4.79195535E-04 7.20649598E-04 2.73543741E-04 -6.31974039E-04 -8.30330369E-05 6.81687170E-05 1.09781021E-03 -3.28225219E-03 -5.75002360E-03 3.23801708E-03 -2.37132492E-03 -7.35126206E-03 1.47435391E-05 9.24087136E-04 -4.00269336E-03 -9.14484880E-04 3.23410047E-03 1.59589728E-03 3.04302511E-02 2.18087754E-02 7.04398002E-05 -6.25438402E-04 2.43433615E-03 -2.37777167E-03 6.06842333E-03 -1.40035166E-02 -5.82448871E-04 1.08204235E-03 -2.08090226E-03 7.31706489E-03 3.28180581E-04 -2.95534231E-03 9.95381194E-05 2.05860198E-03 2.29654697E-03 2.88158376E-04 -1.18524079E-03 -3.87785350E-05 5.53652793E-04 3.75446486E-03 -1.00703958E-02 -1.54258166E-02 7.74568036E-03 -5.48448423E-03 -1.84162198E-02 5.29821986E-04 2.09963070E-03 -1.16728131E-02 -8.50412204E-04 2.24719926E-03 4.88812515E-03 -2.06230339E-03 -4.16732825E-02 -3.21254737E-02 -2.11846719E-04 8.82089929E-04 -3.97238286E-03 3.87068851E-03 -7.82559801E-03 2.00948343E-02 7.70192618E-04 -1.96797060E-03 3.51865952E-03 -9.55814254E-03 -2.04284236E-03 5.85831125E-03 -5.90195328E-05 -9.87062006E-04 -2.60524010E-03 -1.48535894E-03 1.89946145E-03 -1.66658595E-04 3.18742022E-04 -5.81066169E-03 1.39239911E-02 2.42978440E-02 -1.31946760E-02 1.44019848E-02 2.75024267E-02 -3.07228112E-03 -7.27397707E-04 1.94533071E-02 9.75182333E-04 -2.71941111E-03 -4.56994816E-03 9.27203533E-03 1.25874423E-03 2.74418001E-02 2.08841096E-02 -2.09876406E-04 -4.27853448E-04 2.16383828E-03 -1.00960073E-03 4.84462759E-03 -1.09519200E-02 -7.64738352E-04 1.03726852E-03 -2.20104576E-03 6.70496430E-03 1.53869490E-04 -2.87232942E-03 -4.37848278E-04 2.02605177E-03 1.92399278E-03 -5.30225363E-05 -1.52817376E-03 -5.37715271E-04 5.05260950E-04 3.52159500E-03 -8.78833619E-03 -1.45581663E-02 1.21071500E-02 -7.11401410E-03 -2.07055115E-02 2.34414333E-03 1.37423180E-04 -1.30679107E-02 -5.01057422E-04 1.35408849E-03 2.07455281E-03 -8.33315520E-03 3.06703571E-03 5.76623441E-03 1.07980159E-01 8.44126004E-02 8.96158688E-04 -3.85741226E-03 1.20241769E-02 -1.03009906E-02 2.66287657E-02 -6.07245339E-02 -2.53754822E-03 4.89129428E-03 -9.91985361E-03 2.23083253E-02 8.07443632E-03 -2.00791412E-02 -3.61643417E-03 -1.57916299E-03 4.33617180E-03 3.28741549E-03 -6.67145829E-03 -1.64421565E-03 -1.86798655E-03 1.63609186E-02 -3.76987613E-02 -6.91483141E-02 3.74106295E-02 -3.31697593E-02 -5.66799090E-02 6.60984471E-03 3.39134610E-03 -4.92888574E-02 -3.13112975E-03 8.91994284E-03 1.58661912E-02 -2.92456227E-02 2.02096995E-02 6.88836325E-02 -1.27978940E-03 -2.45511774E-02 -1.87415988E-02 -1.15820601E-04 5.59041988E-04 -2.35058062E-03 2.43973843E-03 -4.87508166E-03 1.24211703E-02 4.13861846E-04 -1.07158536E-03 1.96562375E-03 -5.58623304E-03 -1.43241709E-03 3.47249964E-03 -5.48612831E-06 -5.33104273E-04 -1.43739293E-03 -9.00994387E-04 9.71242856E-04 -1.30179095E-04 1.69662272E-04 -3.63328426E-03 8.84900409E-03 1.42842035E-02 -8.21856871E-03 6.91970795E-03 1.55171728E-02 -1.72159637E-03 -7.85608220E-04 1.09353739E-02 7.18418224E-04 -1.71773592E-03 -3.81542307E-03 3.14166941E-03 -4.26488482E-03 -1.36119136E-02 1.56306056E-03 6.14719437E-04 1.22743659E-02 9.26453071E-03 -8.96191078E-05 -1.73042204E-04 9.07571171E-04 -4.73774991E-04 2.50198325E-03 -5.31489478E-03 -3.04911673E-04 3.71314942E-04 -9.15409792E-04 2.92665596E-03 2.92161995E-06 -1.41180425E-03 -2.65517592E-04 9.99851059E-04 7.69806790E-04 -1.62815112E-04 -6.87545643E-04 -2.87742863E-04 3.04916198E-04 1.68712443E-03 -4.28115464E-03 -6.33574798E-03 3.88117713E-03 -2.79602621E-03 -8.41977294E-03 7.35452701E-04 7.58791460E-05 -5.44699232E-03 -4.65317229E-04 9.66896781E-04 2.15921672E-03 -3.16718807E-03 -4.37536475E-04 7.19452654E-03 -1.92515917E-03 -4.67454410E-04 4.27328705E-03 7.98997721E-02 6.14769864E-02 5.45060959E-04 -2.64935385E-03 8.72450368E-03 -7.14840490E-03 1.87601992E-02 -4.35577804E-02 -1.83285923E-03 3.47642728E-03 -6.86271588E-03 1.68828437E-02 5.32066624E-03 -1.39903356E-02 -2.27488865E-03 -2.15110117E-04 3.39592904E-03 2.09311671E-03 -4.46575037E-03 -1.01071061E-03 -9.24784779E-04 1.24151936E-02 -2.94852502E-02 -5.00572784E-02 2.85215722E-02 -2.48406161E-02 -4.75513321E-02 4.61587278E-03 2.67292882E-03 -3.60050296E-02 -1.88611417E-03 5.14143234E-03 1.13414490E-02 -1.82672844E-02 1.31126937E-02 3.98675110E-02 -9.41631512E-03 5.05886256E-03 2.74152068E-02 Cartesian Gradient R N= 9 1.15812186E-06 -2.38880137E-05 -4.95034925E-05 5.29650834E-05 -3.36050705E-05 3.53364861E-05 -5.41232053E-05 5.74930841E-05 1.41670064E-05 Cartesian Force Constants R N= 45 1.16060868E-02 -1.85855413E-02 3.11194252E-02 1.81283299E-02 -3.17674482E-02 3.76427174E-02 -5.27826985E-03 9.32662357E-03 -1.24995962E-02 3.31371614E-01 8.85778114E-03 -1.71836146E-02 2.44512035E-02 -4.34753282E-01 5.73435342E-01 -1.04912827E-02 2.19287741E-02 -3.65735664E-02 7.99030022E-02 -1.15741180E-01 6.48322369E-02 -6.32781697E-03 9.25891777E-03 -5.62873367E-03 -3.26093345E-01 4.25895501E-01 -6.94117195E-02 3.32421161E-01 9.72776020E-03 -1.39358106E-02 7.31624475E-03 4.25426658E-01 -5.56251727E-01 9.38124061E-02 -4.35154419E-01 5.70187538E-01 -7.63704720E-03 9.83867406E-03 -1.06915097E-03 -6.74034060E-02 9.12899768E-02 -2.82586704E-02 7.50404532E-02 -1.01128651E-01 2.93278214E-02 Dipole Moment R N= 3 -2.75862659E-01 3.48018043E-01 -6.74581635E-03 Dipole Derivatives R N= 27 -7.50624771E-02 1.09840708E-01 -1.74113700E-01 9.20369012E-02 -1.79967200E-01 1.87983341E-01 -9.77506647E-02 9.19810435E-02 1.12815862E-01 9.77408510E-01 -1.23713222E+00 1.34354315E+00 -9.73403506E-01 1.84192993E+00 -1.60242052E+00 2.19256093E-01 -1.89897686E-01 -1.21880239E-01 -9.02346032E-01 1.12729151E+00 -1.16942945E+00 8.81366604E-01 -1.66196274E+00 1.41443719E+00 -1.21505431E-01 9.79166425E-02 9.06437714E-03 Polarizability R N= 6 5.54003985E+01 -1.74500214E+01 7.30648358E+01 1.71198586E+01 -2.71642818E+01 6.86486355E+01 Polarizability Derivatives R N= 54 -1.63884661E+01 9.37321396E+00 -2.85695133E+00 -7.30743515E+00 -3.13835765E+00 2.84103966E+00 4.81989332E+00 -4.55172146E+00 2.15857331E+01 -3.05381049E+00 -2.37436845E+00 -4.22302590E+00 9.23111228E-01 -4.81575198E+00 6.54139752E+00 3.79283272E-01 4.76561389E-01 -1.42384648E+01 2.40346496E+01 2.45175402E+00 5.71339647E+00 -5.59342256E+00 1.91929594E+01 -1.07369149E+01 -1.82242531E+01 -8.94728824E+00 -1.50068497E+01 1.46021073E+01 -2.38711747E+01 1.38098655E+01 -7.31929378E+00 1.01835747E+01 -1.77709675E+01 -7.94119975E+00 9.05569158E+00 6.21652423E+00 -7.64618350E+00 -1.18249680E+01 -2.85644514E+00 1.29008577E+01 -1.60546018E+01 7.89587527E+00 1.34043598E+01 1.34990097E+01 -6.57888334E+00 -1.15482969E+01 2.62455432E+01 -9.58683958E+00 6.39618255E+00 -5.36782276E+00 1.12295699E+01 7.56191648E+00 -9.53225296E+00 8.02194059E+00 HyperPolarizability R N= 10 -8.50888286E+02 3.95794699E+02 -1.44125845E+02 1.09833542E+03 -2.88835315E+02 -2.54671432E+02 7.63194722E+01 1.14218324E+02 -2.61409723E+02 -3.28062822E+02 Anisotropic Hyperfine tensors R N= 18 7.70158395E-02 -2.22602904E-02 5.81891029E-02 -3.90414908E-02 9.29171051E-02 -1.35204942E-01 -2.81320070E-02 -6.42939266E-02 -5.81768444E-02 -1.47511863E-01 1.40900722E-01 8.63088513E-02 -1.61408477E-01 -8.56325531E-02 -2.10850271E-01 -2.60581051E-01 1.77379722E-01 3.72258747E-01 Isotropic Hyperfine splittings R N= 3 5.89167943E-05 1.75307742E-01 3.24654531E-02 QEq coupling tensors R N= 18 -3.48020357E-03 7.15071581E-02 -9.85208738E-02 -1.40135576E-01 1.58146048E-01 1.02001077E-01 -4.96326735E-02 -4.48401574E-01 1.71711447E-01 -1.48999676E-03 -6.41312621E-02 -1.22078773E-01 -1.78309192E-01 -1.56019031E-01 -1.14680986E-01 -8.69756649E-02 -3.08598547E-02 2.92990178E-01 Mulliken Charges R N= 3 8.49428201E-02 8.69133872E-03 -9.36341588E-02