Ethanol magnetic-property spinspin                                      
SP        RB3LYP                                                      6-31G(d)            
Number of atoms                            I                9
Charge                                     I                0
Multiplicity                               I                1
Number of electrons                        I               26
Number of alpha electrons                  I               13
Number of beta electrons                   I               13
Number of basis functions                  I               57
Atomic numbers                             I   N=           9
           6           6           8           1           1           1
           1           1           1
Nuclear charges                            R   N=           9
  6.00000000E+00  6.00000000E+00  8.00000000E+00  1.00000000E+00  1.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00
Current cartesian coordinates              R   N=          27
  2.21398832E+00 -7.61655418E-01 -1.13382637E-11 -1.27113042E-02  1.05242001E+00
 -1.13382637E-11 -2.26970610E+00 -4.19057327E-01 -1.88982163E-12 -3.69075247E+00
  7.35645066E-01  2.64561706E-11  7.49505567E-02  2.28517403E+00  1.67754059E+00
  7.49505567E-02  2.28517403E+00 -1.67754059E+00  4.00430479E+00  2.78816179E-01
  1.88982163E-12  2.15489261E+00 -1.97398922E+00  1.67610541E+00  2.15489261E+00
 -1.97398922E+00 -1.67610541E+00
SCF Energy                                 R     -1.550337986992504E+02
Total Energy                               R     -1.550337986992504E+02
Shell types                                I   N=          24
           0          -1          -1           2           0          -1
          -1           2           0          -1          -1           2
           0           0           0           0           0           0
           0           0           0           0           0           0
Number of primitives per shell             I   N=          24
           6           3           1           1           6           3
           1           1           6           3           1           1
           3           1           3           1           3           1
           3           1           3           1           3           1
Shell to atom map                          I   N=          24
           1           1           1           1           2           2
           2           2           3           3           3           3
           4           4           5           5           6           6
           7           7           8           8           9           9
Primitive exponents                        R   N=          57
  3.04752488E+03  4.57369518E+02  1.03948685E+02  2.92101553E+01  9.28666296E+00
  3.16392696E+00  7.86827235E+00  1.88128854E+00  5.44249258E-01  1.68714478E-01
  8.00000000E-01  3.04752488E+03  4.57369518E+02  1.03948685E+02  2.92101553E+01
  9.28666296E+00  3.16392696E+00  7.86827235E+00  1.88128854E+00  5.44249258E-01
  1.68714478E-01  8.00000000E-01  5.48467166E+03  8.25234946E+02  1.88046958E+02
  5.29645000E+01  1.68975704E+01  5.79963534E+00  1.55396162E+01  3.59993359E+00
  1.01376175E+00  2.70005823E-01  8.00000000E-01  1.87311370E+01  2.82539436E+00
  6.40121692E-01  1.61277759E-01  1.87311370E+01  2.82539436E+00  6.40121692E-01
  1.61277759E-01  1.87311370E+01  2.82539436E+00  6.40121692E-01  1.61277759E-01
  1.87311370E+01  2.82539436E+00  6.40121692E-01  1.61277759E-01  1.87311370E+01
  2.82539436E+00  6.40121692E-01  1.61277759E-01  1.87311370E+01  2.82539436E+00
  6.40121692E-01  1.61277759E-01
Contraction coefficients                   R   N=          57
  1.83473713E-03  1.40373228E-02  6.88426223E-02  2.32184443E-01  4.67941348E-01
  3.62311985E-01 -1.19332420E-01 -1.60854152E-01  1.14345644E+00  1.00000000E+00
  1.00000000E+00  1.83473713E-03  1.40373228E-02  6.88426223E-02  2.32184443E-01
  4.67941348E-01  3.62311985E-01 -1.19332420E-01 -1.60854152E-01  1.14345644E+00
  1.00000000E+00  1.00000000E+00  1.83107443E-03  1.39501722E-02  6.84450781E-02
  2.32714336E-01  4.70192898E-01  3.58520853E-01 -1.10777550E-01 -1.48026263E-01
  1.13076702E+00  1.00000000E+00  1.00000000E+00  3.34946043E-02  2.34726953E-01
  8.13757326E-01  1.00000000E+00  3.34946043E-02  2.34726953E-01  8.13757326E-01
  1.00000000E+00  3.34946043E-02  2.34726953E-01  8.13757326E-01  1.00000000E+00
  3.34946043E-02  2.34726953E-01  8.13757326E-01  1.00000000E+00  3.34946043E-02
  2.34726953E-01  8.13757326E-01  1.00000000E+00  3.34946043E-02  2.34726953E-01
  8.13757326E-01  1.00000000E+00
P(S=P) Contraction coefficients            R   N=          57
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  6.89990666E-02  3.16423961E-01  7.44308291E-01  1.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  6.89990666E-02  3.16423961E-01  7.44308291E-01
  1.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  7.08742682E-02  3.39752839E-01
  7.27158577E-01  1.00000000E+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  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
  0.00000000E+00  0.00000000E+00
Total SCF Density                          R   N=        1653
  2.05070012E+00 -5.36802027E-02  3.01757475E-01 -4.79253033E-04 -3.68925161E-03
  3.93791191E-01  2.36072787E-03 -2.68200623E-03  1.02150660E-02  3.93498106E-01
  2.84196755E-13 -1.10433785E-12 -4.23020483E-13  8.03700159E-13  4.06377549E-01
 -1.78723339E-01  2.79694179E-01 -1.57113789E-02 -4.96107236E-04  2.87286321E-12
  2.91462188E-01 -3.11255811E-03  7.22008692E-03  1.66681321E-01  3.89438371E-03
  1.08752583E-12  2.69693751E-03  7.19413321E-02 -1.04810773E-03  8.72376231E-04
 -2.92914532E-04  1.81983063E-01  1.94174409E-13  1.12361006E-02  2.31473961E-04
  8.79721636E-02 -2.15208295E-13  7.01074609E-14 -4.01213279E-13 -6.05087201E-13
  1.99399387E-01  2.78635678E-12  1.92266000E-13 -9.04106993E-14  1.04853516E-01
 -1.73169692E-02 -2.76674717E-03  7.81904133E-03  1.72246457E-02  1.08921142E-14
 -1.52723535E-03  3.49554343E-03  7.97143530E-03  1.26524173E-15  1.24295131E-03
 -1.77443243E-02 -1.95278403E-03 -6.44289391E-04 -1.72679254E-03 -4.00108107E-14
 -1.31802208E-03 -3.59251476E-04 -1.15771282E-03 -4.29910518E-14  9.11185117E-06
  3.02823368E-04 -1.89729392E-02  6.28591737E-04 -2.25209636E-03 -1.98673264E-02
  1.95822046E-14  1.82849416E-03 -9.81470816E-04 -9.12335679E-03  6.34390092E-14
 -7.82898474E-04  2.66474307E-04  1.19506331E-03 -1.52253260E-03  3.14070703E-03
  1.96673843E-02  1.25536254E-04  1.27369797E-14  2.49539886E-03  8.23311937E-03
 -2.50562328E-05 -1.08637657E-14  3.44147265E-04 -1.31524007E-04 -7.24049493E-05
  1.13818841E-03 -2.91388661E-14  6.21754656E-14 -2.12469454E-14  9.21742445E-15
 -5.77747788E-04  5.60638328E-14 -3.26067382E-14 -1.71447000E-14 -3.09122903E-04
 -8.78800164E-16  2.90513088E-16  1.60551075E-15 -6.37203310E-16  1.42157930E-04
 -9.49341038E-15  7.50384510E-14 -2.44514934E-14 -1.49146754E-13 -2.38164934E-02
 -1.49864040E-13 -8.58067124E-14 -2.94761669E-14 -1.11631891E-02 -6.61700157E-15
  2.98287796E-15  2.73363390E-15 -3.01305634E-15 -1.48694089E-04  1.66583928E-03
  1.13754758E-02 -2.13855835E-02  5.45253816E-02 -4.02455442E-02 -6.73318598E-14
 -3.48736874E-03  1.32251194E-02 -1.16845143E-02 -2.12053774E-14 -2.43949086E-03
 -1.75031543E-03  1.87492967E-03  5.37233576E-03 -3.63648353E-16  1.32898227E-14
  2.04946484E+00 -2.18559801E-02  3.69912695E-02 -1.18869937E-01  8.92467827E-02
  1.61317907E-13  2.47646567E-02 -3.83928829E-02  3.47099707E-02  6.25003646E-13
  4.00816503E-03  2.55524420E-03 -4.65897770E-03 -1.07295872E-02 -1.83386868E-15
 -2.31719404E-14 -5.83545755E-02  3.20651986E-01 -4.82219869E-02  9.75411537E-02
 -1.76056196E-01  1.66197014E-01  7.00247846E-14  7.32480341E-02 -8.14499291E-02
  6.80553522E-02 -1.38829007E-12 -1.27542679E-03  1.57475354E-03 -6.13206290E-03
 -7.19794044E-03  1.03990446E-13 -3.30596970E-14 -1.25708022E-02  2.79503012E-02
  3.36958603E-01  4.65647517E-02 -9.56336775E-02  1.75917722E-01 -1.24240791E-01
 -8.63443433E-14 -1.22160566E-01  6.95775512E-02 -7.51922505E-02 -8.67230257E-13
 -5.72223572E-03  5.93474289E-03  5.80311483E-03  4.29174192E-03  3.24451464E-14
 -4.92905235E-15 -1.03087956E-02  1.03251999E-02 -4.63461241E-02  3.90234051E-01
 -9.69005741E-14  1.43478693E-13  1.36669443E-14  4.48061848E-14  7.74579499E-03
  1.82181435E-13  7.11736806E-13  1.18207833E-12  1.25735254E-02 -5.85699894E-14
  5.06269458E-15 -6.74345094E-14  3.21886379E-14 -7.71451455E-03  1.00116064E-02
  2.43560582E-13 -1.25891351E-12 -4.78402355E-13 -1.40593330E-12  4.27786319E-01
  1.37755819E-03  1.07928121E-02 -1.09244998E-01  6.03121759E-02  5.65056879E-15
 -3.46839693E-03 -3.61165322E-02  2.04311546E-02 -1.72609026E-12  1.85654418E-03
  2.64726110E-03 -3.19307738E-03 -9.79658221E-03 -1.28633872E-13  1.39500569E-14
 -1.60553309E-01  2.57126046E-01  3.67490710E-02  4.01340959E-02  3.98493704E-12
  2.26246114E-01 -8.87861809E-03  2.59786833E-02 -6.91457015E-02  8.46388497E-02
 -5.01298904E-13  7.83876191E-03 -3.36215857E-02  3.22111597E-02 -4.33532312E-13
  6.32348357E-04  5.51073939E-04 -3.54712769E-03 -2.80748143E-03  8.54453009E-14
  2.21799507E-15 -8.13872414E-03  1.29832198E-02  1.41398919E-01 -2.44826343E-02
 -2.05097844E-12  1.27732059E-02  6.69866521E-02  1.24496203E-02 -3.20458680E-02
  7.36161241E-02 -4.99221884E-02 -7.93994090E-13 -3.83787166E-02  3.07961630E-02
 -2.85272854E-02  1.85853423E-13 -1.65878907E-03  2.32185260E-03  2.25164866E-03
  1.52971750E-03  1.23077803E-14  8.46125049E-14 -1.35982859E-02  2.68880534E-02
 -3.99762351E-02  1.50089427E-01 -1.77311108E-13  3.00454057E-02 -1.94127579E-02
  6.23959959E-02  4.43269701E-13 -7.88290519E-13 -5.79184227E-13 -1.48785009E-12
 -6.88107887E-03 -2.23960867E-12  1.12902985E-13 -7.97914191E-13 -7.77847594E-03
 -2.46605199E-13  1.07619305E-13  6.84867860E-14 -1.35053602E-14 -2.93620307E-03
  3.86335832E-03  5.62800743E-13 -2.39029271E-12  3.79210871E-12  4.12298105E-12
  1.55243874E-01  3.06032530E-12  2.78379487E-13  3.80538822E-13  6.49989536E-02
 -3.65380909E-03  5.90746996E-03  5.72601447E-03  8.79284610E-03 -5.36875765E-15
  1.06980842E-02  2.75372885E-03  6.30181797E-03  4.28658434E-14  7.44881993E-04
 -4.49164387E-04 -4.58341689E-04  5.46020359E-04 -1.05406184E-14  2.99752593E-15
 -1.42553939E-02 -7.15866693E-03 -8.47344002E-03 -1.98841398E-02  3.89113282E-13
 -9.22822981E-03 -3.78197784E-03 -6.32465980E-03 -2.61711011E-13  2.61365126E-03
 -9.16745975E-04  6.77994071E-04 -1.80848285E-03 -9.39437641E-03  2.58511688E-14
 -2.44345017E-03 -9.49203890E-04 -5.47318155E-03 -4.44172300E-14 -4.27752947E-04
  7.84818803E-05  4.77316408E-04 -2.70637754E-05 -1.50933691E-15  3.21584766E-15
 -1.66877903E-02 -3.16137764E-03  2.56115529E-04  2.87706727E-03  1.01616070E-13
 -9.39486415E-04  9.96591811E-04  3.75245616E-04  2.25034277E-13 -6.00520166E-04
  8.20011610E-04  2.29689275E-03 -5.01666399E-03  4.06128698E-03 -6.13341935E-03
 -3.73785327E-14 -6.89504336E-03  1.34437895E-03 -3.97383789E-03 -1.39429894E-14
 -4.77785560E-04  3.66568291E-04  3.32287024E-04 -1.48392918E-05  4.17049870E-15
  6.23370700E-15 -1.78712477E-02 -5.88294257E-04  3.46976742E-03  2.04447296E-02
 -3.33916614E-14  3.10378741E-03  1.02707534E-03  7.22209619E-03  2.60651047E-13
 -1.25170307E-03  3.93247677E-04  1.38460484E-03  5.80433213E-03 -1.09864100E-02
  1.23810349E-02 -3.59169491E-03  3.15502961E-14 -1.15392891E-02  5.38406233E-03
 -1.96649125E-03 -4.88536732E-14  5.93701418E-04 -1.61450604E-04 -3.41273933E-05
  4.96059092E-04 -1.64310206E-14  2.25782732E-15  3.41054010E-05  2.36692183E-04
 -2.19162677E-02 -6.15162120E-04  3.45760970E-13 -1.88731683E-03 -6.88471993E-03
  1.10251884E-03 -4.35615319E-14  5.83746088E-04  1.57207454E-04 -4.84155966E-04
  2.16382389E-03  1.35633334E-15 -2.27126533E-14 -3.55549657E-14  1.28592200E-14
  8.73559371E-03  2.03840042E-13 -1.21982455E-13  3.76899160E-14  6.85957604E-03
  1.08508824E-14 -5.27131773E-15  1.77680322E-15 -4.34100201E-15 -3.73039307E-06
 -3.43221848E-04  1.65980105E-14  1.34952882E-13 -1.20472911E-13 -1.20908661E-13
  2.40256352E-03 -7.00046467E-13  1.87511292E-13  2.14220985E-13 -2.14259903E-03
 -1.20136421E-14 -8.59900694E-15  1.65153345E-14 -2.32450236E-14  1.13425826E-03
 -2.39106413E-14  4.79297842E-14 -6.90833624E-14  4.12480698E-14 -9.58331589E-03
  5.55473563E-14 -1.38052686E-13  1.16435467E-13 -2.00031624E-03  3.54230156E-15
 -1.34520037E-15 -5.48128686E-15 -4.24134084E-15 -4.41011253E-04  1.33195829E-03
  2.83166724E-14 -6.25510051E-15  3.04934912E-14 -1.63824047E-13  2.73538096E-02
 -3.67870625E-13  1.26711440E-13  1.94714295E-13  7.79353990E-03  6.66236654E-15
 -8.81854700E-16  1.81064078E-14 -1.10958280E-14  7.28409076E-04  2.66749153E-03
 -4.50540164E-03  9.66910089E-03 -1.84138583E-02 -4.13292516E-04  6.33099147E-15
  2.04664241E-02 -2.38248291E-03  4.71213470E-03  3.53894933E-13 -1.98486408E-03
  2.07408002E-04  3.66000142E-04 -9.94650248E-04 -9.86858097E-15 -1.91787801E-14
  3.84179053E-03 -3.24356153E-03  3.01583717E-02  1.76415823E-02  6.63594735E-14
  2.32757286E-02 -7.20389022E-03  1.80583053E-03  1.14547520E-15 -3.90972826E-03
 -1.45712649E-03  2.77772385E-03 -7.45597728E-03 -8.67268196E-14 -7.09073742E-14
  2.07511735E+00  9.33282929E-03 -2.01267579E-02  3.84038087E-02 -1.16510582E-03
  1.14541024E-13 -3.80105196E-02  6.25154996E-03 -8.18047901E-03 -6.55635546E-13
  4.08984428E-03 -6.36251105E-04 -6.63451712E-04  2.14303116E-03 -4.54106465E-14
  2.15092686E-14 -8.53742897E-03  6.31961599E-03 -7.63161368E-02 -4.98966841E-02
  6.00941642E-14 -6.17675577E-02  1.27915787E-02 -3.52135760E-03 -9.20452620E-13
  1.08377925E-02  3.26003585E-03 -6.67429963E-03  1.73024401E-02  8.40789767E-14
  8.75180555E-15 -1.76126365E-01  5.02609646E-01  1.32868024E-02 -2.80040980E-02
  5.30761878E-02 -1.22567139E-02 -2.58027879E-13 -5.03236802E-02  3.88897255E-02
 -1.00021952E-02  6.81918462E-13  8.98014190E-03 -3.69086213E-03 -2.02449418E-03
  1.98519900E-03 -1.24377269E-13  1.85647042E-14 -5.63788266E-02  1.14447141E-01
 -2.42937255E-01 -1.52276636E-01  1.03013428E-12  8.91429727E-02 -8.51327773E-02
 -4.29418727E-02 -4.89015431E-12  4.66751343E-03  3.43587743E-03 -1.21930167E-02
  2.33943595E-02  4.93556306E-14 -2.97063442E-14  1.07631122E-03  4.82857387E-04
  5.27653948E-01 -1.12758395E-02  1.90450135E-02 -1.85500218E-02  1.71510661E-02
  1.06161074E-13  1.33623234E-01  6.25426888E-03  5.21786474E-02  3.19274756E-12
  2.87180345E-03 -2.37136202E-03 -8.18575868E-04 -2.83879279E-03 -6.01936294E-14
  1.90422956E-15 -3.81909117E-02  8.46336891E-02 -1.77439610E-01 -1.15925937E-01
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  5.06029253E-02 -3.33810923E-02  8.52927353E-14  8.60815492E-02  3.45985246E-02
 -1.83988599E-02  4.60703050E-13 -4.38831104E-03 -3.33900807E-03 -1.13368595E-03
  3.84440185E-03  1.29315792E-16  1.82542801E-14 -3.41006714E-02 -3.66972905E-02
 -3.93311809E-03  2.69522300E-03 -3.93311809E-03  2.69522300E-03  1.67335590E-01
  1.48814492E-01 -5.36845523E-02  1.03291545E-01 -1.19646240E-02 -1.51950788E-01
  2.16278200E-01  9.71463802E-02 -2.03351120E-03 -6.96882693E-02  1.04923893E-01
 -7.52655755E-03  4.71216499E-04  8.22045895E-03  5.99047090E-04  1.04880862E-04
 -1.32865347E-02  5.87596702E-03 -1.74342250E-02 -2.32386218E-02  1.87167335E-02
 -1.95358801E-02 -1.53670032E-02 -2.11423744E-02  9.53417987E-03 -1.14659485E-02
 -1.84522722E-03  3.83814517E-03  1.00300122E-03 -3.03018577E-03  4.26170849E-03
 -6.84676394E-03  4.71840524E-03 -9.29532927E-03 -1.38817957E-02 -5.94953160E-04
 -2.57236906E-03 -2.39828306E-02 -1.05976381E-02 -4.51350973E-03 -6.33646376E-04
 -1.47624572E-04  1.29623705E-03  7.98056695E-04 -1.16416966E-03  1.79899566E-04
 -1.25828669E-03  4.83556954E-03  5.32646595E-03 -1.75439689E-02 -2.09361355E-02
  2.80268513E-02  4.67241965E-02 -2.20210841E-02 -4.26342519E-02  2.10749096E-01
 -7.77869397E-03  2.52603377E-02 -6.06576136E-03 -1.28975542E-01  1.80432940E-01
  1.84457937E-02 -2.26649177E-03 -6.15182542E-02  8.13854069E-02 -6.15009366E-03
  8.21615224E-04  6.62809642E-03 -9.26971779E-05  6.15485601E-04 -1.21895011E-02
  8.07256016E-03 -1.93878897E-02 -3.41845976E-02  4.83612358E-02 -5.14457903E-02
 -1.19110183E-02 -1.93428567E-02  1.89545149E-02 -1.63074569E-02 -3.99875424E-03
  3.60880583E-03  2.64437979E-03 -2.94581850E-04  1.36409139E-03 -9.67273653E-03
 -1.26686387E-03  2.32183725E-03 -1.02033602E-02 -2.58231562E-02  5.78456189E-02
  3.11687091E-03 -7.83208069E-03 -2.19344067E-02  4.70498268E-02 -9.24596347E-04
 -6.13928129E-04  5.78011151E-04 -3.56496921E-04 -6.98583504E-04  1.11361332E-03
 -4.63713394E-03 -3.50472835E-03 -2.73888408E-02 -3.50827416E-02  5.83508479E-02
  7.91487883E-02 -3.85881314E-02 -3.81627764E-02  1.58286597E-01  1.38349620E-01
 -5.36845523E-02  1.03291545E-01 -1.19646240E-02 -1.51950788E-01 -2.16278200E-01
  9.71463802E-02 -2.03351120E-03 -6.96882693E-02 -1.04923893E-01 -7.52655755E-03
  4.71216499E-04  8.22045895E-03  5.99047090E-04 -1.04880862E-04  1.32865347E-02
  5.87596702E-03 -1.74342250E-02 -2.32386218E-02  1.87167335E-02  1.95358801E-02
 -1.53670032E-02 -2.11423744E-02  9.53417987E-03  1.14659485E-02 -1.84522722E-03
  3.83814517E-03  1.00300122E-03 -3.03018577E-03 -4.26170849E-03  6.84676394E-03
  4.71840524E-03 -9.29532927E-03 -1.38817957E-02 -5.94953160E-04  2.57236906E-03
 -2.39828306E-02 -1.05976381E-02 -4.51350973E-03  6.33646376E-04 -1.47624572E-04
  1.29623705E-03  7.98056695E-04 -1.16416966E-03 -1.79899566E-04  1.25828669E-03
  4.83556954E-03  5.32646595E-03  2.80268513E-02  4.67241965E-02 -1.75439689E-02
 -2.09361355E-02 -2.20210841E-02 -4.26342519E-02 -2.22282862E-02 -4.10996848E-02
  2.10749096E-01 -7.77869397E-03  2.52603377E-02 -6.06576136E-03 -1.28975542E-01
 -1.80432940E-01  1.84457937E-02 -2.26649177E-03 -6.15182542E-02 -8.13854069E-02
 -6.15009366E-03  8.21615224E-04  6.62809642E-03 -9.26971779E-05 -6.15485601E-04
  1.21895011E-02  8.07256017E-03 -1.93878897E-02 -3.41845976E-02  4.83612358E-02
  5.14457903E-02 -1.19110183E-02 -1.93428567E-02  1.89545149E-02  1.63074569E-02
 -3.99875424E-03  3.60880583E-03  2.64437979E-03 -2.94581850E-04 -1.36409139E-03
  9.67273653E-03 -1.26686387E-03  2.32183725E-03 -1.02033602E-02 -2.58231562E-02
 -5.78456189E-02  3.11687091E-03 -7.83208069E-03 -2.19344067E-02 -4.70498268E-02
 -9.24596347E-04 -6.13928129E-04  5.78011151E-04 -3.56496921E-04  6.98583504E-04
 -1.11361332E-03 -4.63713394E-03 -3.50472835E-03  5.83508479E-02  7.91487883E-02
 -2.73888408E-02 -3.50827416E-02 -3.85881314E-02 -3.81627764E-02 -4.10996848E-02
 -4.65806877E-02  1.58286597E-01  1.38349620E-01
Nuclear spins                              I   N=           9
           1           1           5           1           1           1
           1           1           1
Nuclear GFac                               R   N=           9
  7.02411000E-01  7.02411000E-01 -1.89380000E+00  2.79284600E+00  2.79284600E+00
  2.79284600E+00  2.79284600E+00  2.79284600E+00  2.79284600E+00
Integer atomic weights                     I   N=           9
          13          13          17           1           1           1
           1           1           1
