NMR precursor ethanol                                                   
Freq      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 -1.16291950E-11 -1.27113042E-02  1.05242001E+00
 -1.08852455E-11 -2.26970610E+00 -4.19057327E-01 -2.23850065E-12 -3.69075247E+00
  7.35645066E-01  2.68646398E-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
  1.34348195E-12  2.15489261E+00 -1.97398922E+00  1.67610541E+00  2.15489261E+00
 -1.97398922E+00 -1.67610541E+00
SCF Energy                                 R     -1.550337986992524E+02
Total Energy                               R     -1.550337986992524E+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 -5.36802040E-02  3.01757478E-01 -4.79253420E-04 -3.68925130E-03
  3.93791195E-01  2.36072783E-03 -2.68200506E-03  1.02150682E-02  3.93498110E-01
 -5.47539326E-16 -3.03503152E-13 -4.55508329E-13 -6.92070538E-13  4.06377553E-01
 -1.78723340E-01  2.79694181E-01 -1.57113793E-02 -4.96108827E-04  1.37906198E-12
  2.91462188E-01 -3.11255690E-03  7.22008542E-03  1.66681322E-01  3.89439010E-03
  1.04052375E-13  2.69693575E-03  7.19413328E-02 -1.04810736E-03  8.72376012E-04
 -2.92911369E-04  1.81983063E-01  1.84873583E-12  1.12360985E-02  2.31477800E-04
  8.79721620E-02  2.98895184E-13 -1.14455911E-12  7.39580267E-13 -1.28234672E-12
  1.99399386E-01  7.79655544E-13  2.64328186E-14  7.08196036E-13  1.04853514E-01
 -1.73169691E-02 -2.76674702E-03  7.81903992E-03  1.72246458E-02 -1.05942736E-13
 -1.52723530E-03  3.49554308E-03  7.97143535E-03 -1.95858265E-14  1.24295126E-03
 -1.77443240E-02 -1.95278442E-03 -6.44288687E-04 -1.72679264E-03 -3.01322688E-13
 -1.31802246E-03 -3.59251205E-04 -1.15771285E-03 -1.72619941E-13  9.11186053E-06
  3.02823369E-04 -1.89729390E-02  6.28591468E-04 -2.25209593E-03 -1.98673266E-02
  3.71761269E-13  1.82849402E-03 -9.81470926E-04 -9.12335676E-03  2.20141122E-13
 -7.82898465E-04  2.66474305E-04  1.19506331E-03 -1.52253277E-03  3.14070732E-03
  1.96673845E-02  1.25535017E-04  4.36596487E-15  2.49539914E-03  8.23311942E-03
 -2.50567033E-05  1.57915563E-14  3.44147137E-04 -1.31523973E-04 -7.24048614E-05
  1.13818843E-03 -1.59720558E-14  5.63429957E-14  1.02427831E-13  5.75730090E-14
 -5.77749384E-04 -3.01178072E-14  5.22174489E-14 -2.15471970E-14 -3.09123683E-04
  3.13403678E-15  2.26672845E-15  3.28698644E-16  6.68401641E-15  1.42157936E-04
 -5.70039129E-14  1.25676225E-13 -4.55956794E-14 -5.45114961E-14 -2.38164936E-02
  1.58593347E-13 -8.53385440E-14 -9.19143329E-14 -1.11631890E-02  6.06302265E-16
  1.37654165E-14 -2.05419298E-14 -3.52174762E-15 -1.48693997E-04  1.66583928E-03
  1.13754757E-02 -2.13855832E-02  5.45253818E-02 -4.02455444E-02  3.27657437E-13
 -3.48736774E-03  1.32251187E-02 -1.16845139E-02  2.80962786E-13 -2.43949108E-03
 -1.75031533E-03  1.87492976E-03  5.37233590E-03  9.73535090E-15 -9.78317102E-15
  2.04946484E+00 -2.18559795E-02  3.69912688E-02 -1.18869937E-01  8.92467833E-02
 -2.10307601E-13  2.47646541E-02 -3.83928812E-02  3.47099699E-02  2.74978959E-13
  4.00816548E-03  2.55524394E-03 -4.65897789E-03 -1.07295875E-02 -5.50689870E-14
  2.64589490E-14 -5.83545752E-02  3.20651985E-01 -4.82219864E-02  9.75411532E-02
 -1.76056196E-01  1.66197015E-01 -5.90312856E-13  7.32480339E-02 -8.14499277E-02
  6.80553513E-02 -2.86544117E-12 -1.27542596E-03  1.57475303E-03 -6.13206329E-03
 -7.19794096E-03  8.43983765E-14  1.31404034E-14 -1.25708023E-02  2.79503003E-02
  3.36958601E-01  4.65647514E-02 -9.56336772E-02  1.75917723E-01 -1.24240793E-01
  8.70402894E-13 -1.22160566E-01  6.95775507E-02 -7.51922484E-02  9.19698514E-13
 -5.72223659E-03  5.93474340E-03  5.80311522E-03  4.29174233E-03  5.88410014E-14
 -1.16746113E-13 -1.03087954E-02  1.03251982E-02 -4.63461243E-02  3.90234053E-01
 -3.02114723E-13 -1.53203917E-13 -2.28961503E-13  1.10842971E-12  7.74579414E-03
  4.44689544E-12 -1.26339106E-12  2.87370711E-12  1.25735238E-02  1.04445618E-14
 -1.23160434E-13 -2.35365317E-13 -5.39588535E-14 -7.71451464E-03  1.00116064E-02
 -1.39218310E-14  5.87241711E-13 -9.83016416E-13 -8.03917084E-13  4.27786321E-01
  1.37755875E-03  1.07928109E-02 -1.09245000E-01  6.03121817E-02 -3.49744499E-12
 -3.46839897E-03 -3.61165319E-02  2.04311566E-02 -3.25963453E-12  1.85654472E-03
  2.64726092E-03 -3.19307779E-03 -9.79658259E-03 -5.55976710E-15  3.47009572E-14
 -1.60553310E-01  2.57126049E-01  3.67490744E-02  4.01340943E-02 -3.37303864E-12
  2.26246120E-01 -8.87861758E-03  2.59786823E-02 -6.91456999E-02  8.46388509E-02
 -2.53821149E-12  7.83876192E-03 -3.36215842E-02  3.22111600E-02 -1.69666600E-12
  6.32348832E-04  5.51073691E-04 -3.54712791E-03 -2.80748164E-03  6.01651801E-14
  1.59454358E-13 -8.13872431E-03  1.29832199E-02  1.41398915E-01 -2.44826363E-02
 -8.30321253E-13  1.27732069E-02  6.69866495E-02  1.24496200E-02 -3.20458676E-02
  7.36161255E-02 -4.99221908E-02  1.29772441E-12 -3.83787167E-02  3.07961632E-02
 -2.85272856E-02  2.03804094E-12 -1.65878949E-03  2.32185279E-03  2.25164891E-03
  1.52971776E-03  2.41049567E-14 -4.14701482E-14 -1.35982846E-02  2.68880508E-02
 -3.99762361E-02  1.50089427E-01  2.43961188E-13  3.00454032E-02 -1.94127585E-02
  6.23959956E-02 -1.46860841E-13  3.18402789E-13 -1.89187436E-12  8.68457922E-13
 -6.88107564E-03  2.31093339E-13 -1.04021459E-12  6.99814360E-13 -7.77847370E-03
 -1.80461704E-13  5.22944437E-14 -8.47557069E-14 -6.17567536E-14 -2.93620314E-03
  3.86335828E-03  6.61031638E-13 -2.21423485E-12  6.15283817E-12  2.13718693E-12
  1.55243880E-01 -5.37047496E-13  1.80572275E-12 -8.71396520E-13  6.49989563E-02
 -3.65380908E-03  5.90746986E-03  5.72601510E-03  8.79284583E-03  4.43145852E-16
  1.06980839E-02  2.75372922E-03  6.30181772E-03 -1.53431440E-14  7.44881978E-04
 -4.49164380E-04 -4.58341672E-04  5.46020359E-04 -2.41914047E-15 -1.77256764E-15
 -1.42553941E-02 -7.15866687E-03 -8.47344050E-03 -1.98841392E-02  5.93969089E-14
 -9.22822981E-03 -3.78197782E-03 -6.32465951E-03 -2.90861472E-13  2.61365125E-03
 -9.16746238E-04  6.77994458E-04 -1.80848384E-03 -9.39437584E-03  1.84242698E-13
 -2.44344955E-03 -9.49204449E-04 -5.47318119E-03  5.49378150E-15 -4.27752920E-04
  7.84818611E-05  4.77316377E-04 -2.70637827E-05 -8.46516107E-16 -1.03295738E-14
 -1.66877906E-02 -3.16137729E-03  2.56115941E-04  2.87706588E-03 -6.21379841E-14
 -9.39486428E-04  9.96591952E-04  3.75245193E-04  1.70369703E-13 -6.00520115E-04
  8.20011599E-04  2.29689283E-03 -5.01666417E-03  4.06128726E-03 -6.13341950E-03
  1.33805498E-13 -6.89504353E-03  1.34437901E-03 -3.97383786E-03  1.29070456E-13
 -4.77785589E-04  3.66568319E-04  3.32287040E-04 -1.48392714E-05 -4.77006741E-15
  4.81198659E-15 -1.78712479E-02 -5.88294212E-04  3.46976738E-03  2.04447303E-02
  4.80530277E-13  3.10378757E-03  1.02707515E-03  7.22209643E-03  3.66133229E-13
 -1.25170308E-03  3.93247612E-04  1.38460492E-03  5.80433225E-03 -1.09864102E-02
  1.23810353E-02 -3.59169520E-03  1.14902225E-13 -1.15392891E-02  5.38406251E-03
 -1.96649127E-03  5.62889001E-14  5.93701371E-04 -1.61450575E-04 -3.41273575E-05
  4.96059112E-04 -3.46980984E-15 -2.03146939E-14  3.41054952E-05  2.36692163E-04
 -2.19162683E-02 -6.15162340E-04 -2.02489778E-13 -1.88731724E-03 -6.88471993E-03
  1.10251892E-03 -3.47568888E-13  5.83746150E-04  1.57207444E-04 -4.84155996E-04
  2.16382399E-03 -4.55127182E-14  6.81602394E-14 -1.30906441E-13  9.82336461E-14
  8.73559385E-03  3.68490004E-13 -2.35682546E-13  1.40286655E-13  6.85957590E-03
  1.20068323E-14 -2.04257678E-14  4.17716008E-15 -3.54824121E-15 -3.73042439E-06
 -3.43221868E-04  9.93670078E-14 -3.24543353E-14 -5.43244001E-14 -3.79218926E-13
  2.40256303E-03 -8.22892028E-13  2.27532908E-13  2.46203335E-13 -2.14259889E-03
 -4.39226102E-15 -1.31933249E-14  8.08764736E-15 -3.68809295E-14  1.13425825E-03
 -2.60934099E-14 -4.46628703E-16 -3.33006744E-14  1.54595323E-13 -9.58331613E-03
  4.31697652E-13 -2.51102714E-13  1.84321692E-13 -2.00031650E-03  1.25130222E-14
 -6.62610331E-15 -2.53456848E-14 -7.05361942E-15 -4.41011206E-04  1.33195828E-03
  9.63251541E-15  9.59689548E-14 -4.34457757E-14 -1.26397341E-13  2.73538087E-02
 -6.50904629E-13  2.62246120E-13  2.73878060E-13  7.79354002E-03 -1.81861708E-14
 -2.14681019E-14  4.59948733E-14 -5.28923278E-14  7.28409023E-04  2.66749140E-03
 -4.50540157E-03  9.66910077E-03 -1.84138584E-02 -4.13292611E-04 -1.20636966E-13
  2.04664228E-02 -2.38248289E-03  4.71213416E-03  2.58022672E-13 -1.98486397E-03
  2.07407927E-04  3.66000085E-04 -9.94650238E-04 -1.68689407E-14 -4.84345207E-15
  3.84179025E-03 -3.24356099E-03  3.01583709E-02  1.76415817E-02  2.62802346E-13
  2.32757312E-02 -7.20389094E-03  1.80582926E-03 -3.90484228E-14 -3.90972838E-03
 -1.45712656E-03  2.77772386E-03 -7.45597734E-03 -8.15798690E-14 -3.87775513E-14
  2.07511735E+00  9.33282915E-03 -2.01267579E-02  3.84038095E-02 -1.16510531E-03
  2.61514855E-13 -3.80105171E-02  6.25154997E-03 -8.18047794E-03 -5.67736025E-13
  4.08984410E-03 -6.36250970E-04 -6.63451637E-04  2.14303117E-03 -9.95070675E-15
 -2.22396923E-14 -8.53742838E-03  6.31961504E-03 -7.63161354E-02 -4.98966830E-02
 -1.28942281E-12 -6.17675632E-02  1.27915803E-02 -3.52135500E-03 -1.10024039E-12
  1.08377927E-02  3.26003599E-03 -6.67429973E-03  1.73024403E-02  7.09578421E-14
 -1.13217779E-13 -1.76126367E-01  5.02609652E-01  1.32868028E-02 -2.80040992E-02
  5.30761915E-02 -1.22567146E-02 -8.27928331E-14 -5.03236828E-02  3.88897269E-02
 -1.00021966E-02  1.00353566E-12  8.98014179E-03 -3.69086205E-03 -2.02449409E-03
  1.98519922E-03 -7.10139190E-14 -5.12441721E-14 -5.63788264E-02  1.14447141E-01
 -2.42937257E-01 -1.52276637E-01 -1.09130070E-12  8.91429695E-02 -8.51327731E-02
 -4.29418724E-02 -6.60257745E-12  4.66751348E-03  3.43587824E-03 -1.21930171E-02
  2.33943606E-02 -2.54082715E-14 -2.02478076E-13  1.07631068E-03  4.82859962E-04
  5.27653957E-01 -1.12758394E-02  1.90450141E-02 -1.85500218E-02  1.71510658E-02
  1.77302238E-13  1.33623230E-01  6.25427046E-03  5.21786460E-02  3.01139733E-12
  2.87180355E-03 -2.37136205E-03 -8.18575843E-04 -2.83879277E-03 -2.30719633E-14
 -4.86600542E-14 -3.81909119E-02  8.46336901E-02 -1.77439612E-01 -1.15925940E-01
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  5.06029257E-02 -3.33810921E-02 -2.91118795E-13  8.60815455E-02  3.45985245E-02
 -1.83988594E-02  1.57256223E-13 -4.38831068E-03 -3.33900797E-03 -1.13368592E-03
  3.84440163E-03  2.33316301E-15 -2.72944691E-15 -3.41006704E-02 -3.66972882E-02
 -3.93311811E-03  2.69522294E-03 -3.93311811E-03  2.69522294E-03  1.67335585E-01
  1.48814485E-01 -5.36845521E-02  1.03291545E-01 -1.19646245E-02 -1.51950788E-01
  2.16278201E-01  9.71463807E-02 -2.03351407E-03 -6.96882689E-02  1.04923892E-01
 -7.52655751E-03  4.71216389E-04  8.22045886E-03  5.99047671E-04  1.04880017E-04
 -1.32865347E-02  5.87596716E-03 -1.74342254E-02 -2.32386226E-02  1.87167343E-02
 -1.95358805E-02 -1.53670056E-02 -2.11423753E-02  9.53418094E-03 -1.14659471E-02
 -1.84522715E-03  3.83814507E-03  1.00300122E-03 -3.03018569E-03  4.26170857E-03
 -6.84676397E-03  4.71840512E-03 -9.29532922E-03 -1.38817957E-02 -5.94952980E-04
 -2.57236903E-03 -2.39828296E-02 -1.05976379E-02 -4.51350956E-03 -6.33646507E-04
 -1.47624742E-04  1.29623707E-03  7.98056680E-04 -1.16416964E-03  1.79899522E-04
 -1.25828674E-03  4.83556937E-03  5.32646550E-03 -1.75439690E-02 -2.09361361E-02
  2.80268515E-02  4.67241973E-02 -2.20210832E-02 -4.26342489E-02  2.10749095E-01
 -7.77869353E-03  2.52603366E-02 -6.06576003E-03 -1.28975542E-01  1.80432941E-01
  1.84457935E-02 -2.26649315E-03 -6.15182537E-02  8.13854065E-02 -6.15009364E-03
  8.21615228E-04  6.62809640E-03 -9.26966705E-05  6.15484904E-04 -1.21895011E-02
  8.07256040E-03 -1.93878903E-02 -3.41845990E-02  4.83612377E-02 -5.14457901E-02
 -1.19110204E-02 -1.93428578E-02  1.89545164E-02 -1.63074566E-02 -3.99875415E-03
  3.60880560E-03  2.64437990E-03 -2.94581726E-04  1.36409157E-03 -9.67273635E-03
 -1.26686395E-03  2.32183728E-03 -1.02033599E-02 -2.58231561E-02  5.78456176E-02
  3.11687145E-03 -7.83208014E-03 -2.19344064E-02  4.70498248E-02 -9.24596549E-04
 -6.13928032E-04  5.78011134E-04 -3.56496996E-04 -6.98583245E-04  1.11361312E-03
 -4.63713388E-03 -3.50472841E-03 -2.73888398E-02 -3.50827403E-02  5.83508477E-02
  7.91487877E-02 -3.85881301E-02 -3.81627736E-02  1.58286596E-01  1.38349619E-01
 -5.36845521E-02  1.03291545E-01 -1.19646245E-02 -1.51950788E-01 -2.16278201E-01
  9.71463807E-02 -2.03351407E-03 -6.96882689E-02 -1.04923892E-01 -7.52655751E-03
  4.71216389E-04  8.22045886E-03  5.99047671E-04 -1.04880017E-04  1.32865347E-02
  5.87596716E-03 -1.74342254E-02 -2.32386226E-02  1.87167343E-02  1.95358805E-02
 -1.53670056E-02 -2.11423753E-02  9.53418094E-03  1.14659471E-02 -1.84522715E-03
  3.83814507E-03  1.00300122E-03 -3.03018569E-03 -4.26170857E-03  6.84676397E-03
  4.71840512E-03 -9.29532922E-03 -1.38817957E-02 -5.94952980E-04  2.57236903E-03
 -2.39828296E-02 -1.05976379E-02 -4.51350956E-03  6.33646507E-04 -1.47624742E-04
  1.29623707E-03  7.98056680E-04 -1.16416964E-03 -1.79899522E-04  1.25828674E-03
  4.83556937E-03  5.32646550E-03  2.80268515E-02  4.67241973E-02 -1.75439690E-02
 -2.09361361E-02 -2.20210832E-02 -4.26342489E-02 -2.22282864E-02 -4.10996849E-02
  2.10749095E-01 -7.77869353E-03  2.52603366E-02 -6.06576003E-03 -1.28975542E-01
 -1.80432941E-01  1.84457935E-02 -2.26649316E-03 -6.15182537E-02 -8.13854065E-02
 -6.15009364E-03  8.21615228E-04  6.62809640E-03 -9.26966704E-05 -6.15484904E-04
  1.21895011E-02  8.07256041E-03 -1.93878903E-02 -3.41845990E-02  4.83612377E-02
  5.14457901E-02 -1.19110204E-02 -1.93428578E-02  1.89545164E-02  1.63074566E-02
 -3.99875415E-03  3.60880560E-03  2.64437990E-03 -2.94581726E-04 -1.36409157E-03
  9.67273635E-03 -1.26686394E-03  2.32183727E-03 -1.02033599E-02 -2.58231561E-02
 -5.78456176E-02  3.11687145E-03 -7.83208014E-03 -2.19344064E-02 -4.70498248E-02
 -9.24596549E-04 -6.13928032E-04  5.78011134E-04 -3.56496996E-04  6.98583245E-04
 -1.11361312E-03 -4.63713388E-03 -3.50472841E-03  5.83508477E-02  7.91487877E-02
 -2.73888398E-02 -3.50827403E-02 -3.85881301E-02 -3.81627736E-02 -4.10996849E-02
 -4.65806872E-02  1.58286596E-01  1.38349619E-01
Nuclear spins                              I   N=           9
           0           0           0           1           1           1
           1           1           1
Nuclear GFac                               R   N=           9
  0.00000000E+00  0.00000000E+00  0.00000000E+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
          12          12          16           1           1           1
           1           1           1
