Ethanol magnetic-property rotated                                       
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
  2.14562198E+00  4.79889013E-01 -8.04907508E-01 -4.87879722E-01  8.94549382E-01
  2.63636558E-01 -1.65516238E+00 -1.51926579E+00  5.28624404E-01 -3.33445640E+00
 -1.25721572E+00  1.20980850E+00 -3.63959897E-01  1.86976648E+00  2.10078244E+00
 -1.58800488E+00  2.11986350E+00 -1.01301509E+00  3.12905924E+00  2.28608194E+00
 -1.04642866E+00  3.25918250E+00 -7.13229346E-01  4.67502198E-01  2.03618471E+00
 -4.63346288E-01 -2.64363140E+00
SCF Energy                                 R     -1.550337987275203E+02
Total Energy                               R     -1.550337987275203E+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
  2.05070011E+00 -5.36801661E-02  3.01757360E-01 -1.46085976E-03 -1.78233677E-03
  3.87869156E-01  1.77612174E-03 -4.18253924E-03  4.51217623E-03  4.02589674E-01
  7.16928176E-04  3.64663560E-04  7.63813475E-03 -2.07795751E-03  4.03208015E-01
 -1.78723389E-01  2.79694236E-01 -1.25485977E-02 -8.45776777E-03  4.25361525E-03
  2.91462419E-01 -2.05496818E-03  5.47423425E-03  1.72858110E-01 -4.05567106E-03
  1.01077522E-02 -2.90587336E-03  7.94519149E-02 -2.48882748E-03  4.43855217E-03
 -7.94207230E-03  1.79656246E-01  1.53623421E-03  1.09990663E-02 -7.01565119E-03
  8.40778986E-02  6.07914104E-04 -1.79545656E-03  9.79564601E-03  8.54597659E-06
  1.95549545E-01  2.02576137E-03  9.42198385E-03  1.08915514E-03  1.01237275E-01
 -1.66525173E-02 -4.15406620E-03 -7.75230399E-03  2.61985599E-03  1.02962289E-02
 -2.63199710E-03 -3.19410525E-03  1.44137923E-03  4.64916234E-03  8.95626724E-04
 -1.87938381E-02  2.30094031E-04  1.29038586E-02  1.09809762E-02 -1.31277404E-03
  5.36806292E-04  5.52835793E-03  4.42589270E-03 -4.66135795E-04 -8.63467252E-05
  9.13827434E-04 -1.85879036E-02 -1.66941395E-04  8.33245005E-04 -1.48249020E-02
 -1.14344384E-02  1.07844364E-03  4.65631151E-04 -6.74296320E-03 -5.35401750E-03
 -3.79334197E-04 -1.70760999E-04  1.18964130E-03 -4.62855462E-04  9.85754933E-04
  3.31728096E-03  1.57154041E-02 -9.00392218E-03  9.58816021E-04  1.10591101E-03
  7.15645578E-03 -4.06584447E-03 -2.62734191E-04  5.65418466E-04 -2.93198450E-04
  1.01992765E-03 -1.09046003E-03  2.25011116E-03  1.11098513E-02 -9.00092017E-03
  2.99639042E-03  2.10170691E-03  4.94802689E-03 -4.23951684E-03  1.47779238E-03
 -1.72219693E-04  1.49876760E-04  1.35989140E-04 -3.58154496E-04  7.69445873E-04
  1.98562190E-04 -4.24462889E-04 -8.90540143E-03 -1.81350233E-03 -1.68713745E-02
 -4.96713729E-04 -4.05119142E-03 -8.51420685E-04 -7.97678897E-03 -3.28253107E-04
 -2.89108344E-04  6.11600877E-04  2.00265880E-04 -4.22153802E-04  9.84639216E-04
  1.13754744E-02 -2.13855491E-02  6.25919425E-02 -6.57858858E-03 -2.51335027E-02
 -3.48745954E-03  1.60542287E-02 -3.24202351E-03 -6.57137280E-03 -5.15615085E-03
  2.16300843E-03  6.78229435E-04  2.04854154E-03  3.35605618E-03 -7.78569231E-04
  2.04946482E+00 -2.18559636E-02  3.69911759E-02 -1.37139945E-01  1.56329647E-02
  5.51657996E-02  2.47647918E-02 -4.69640600E-02  1.00875841E-02  1.92719525E-02
  9.41138959E-03 -5.24026918E-03 -2.26661281E-03 -4.05543019E-03 -6.71248858E-03
  1.54028891E-03 -5.83545501E-02  3.20651936E-01 -6.03345531E-02  1.22697326E-01
 -2.67133983E-01  4.97444036E-02  1.12051679E-01  1.14983569E-01 -1.18421392E-01
  2.62419158E-02  5.36023339E-02  2.21637379E-03 -6.80170309E-03 -2.88635497E-03
 -1.08801820E-03 -8.80306884E-03  2.32246755E-03 -5.54256875E-03  1.80388252E-02
  3.94212844E-01  1.52117652E-02 -3.20065095E-02  5.87660838E-02  1.27084905E-02
 -2.27025660E-02 -6.71389766E-02  2.76544345E-02 -1.60915088E-02 -1.31734123E-02
 -1.70029245E-03  2.91392306E-03  9.54572807E-04 -5.55136872E-03  2.02667195E-03
  1.91083967E-03 -1.52533892E-02  2.31308788E-02 -4.46755619E-02  3.35939311E-01
  2.49395261E-02 -5.08035066E-02  1.12776328E-01 -1.91561058E-02 -3.81254275E-02
 -5.05929911E-02  5.37157800E-02 -1.26181524E-02 -9.55570258E-03 -8.37145986E-03
  2.26408635E-03  9.21866102E-03  2.66946521E-03 -5.37430629E-03  3.49645549E-03
  9.53668529E-04 -5.23329186E-03  9.60962131E-03  1.01850519E-02  4.24827006E-01
  1.37755217E-03  1.07927714E-02 -1.16185593E-01 -4.21845991E-03  4.53341946E-02
 -3.46821209E-03 -3.86343193E-02 -9.73452093E-04  1.51091244E-02  7.60706566E-03
 -5.01973720E-03 -1.27654252E-03 -4.74251749E-03 -5.28327460E-03  1.69488392E-03
 -1.60553252E-01  2.57125955E-01  1.16666817E-02  5.31509671E-02 -3.17152248E-04
  2.26245989E-01 -1.28675856E-02  3.56621696E-02 -1.15282569E-01  3.26746509E-02
  4.52373637E-02  2.37877362E-02 -5.23771603E-02  1.25948884E-02  1.85435544E-02
  1.14036695E-03 -2.47641299E-03 -1.90823168E-03 -2.60271851E-05 -3.92006531E-03
  8.52895651E-04 -4.46557962E-04 -1.64520862E-03  1.68810811E-01 -1.15200200E-02
 -6.25860726E-03 -3.24847860E-03  8.01000838E-02  6.11940381E-03 -1.41539531E-02
  2.24447892E-02  1.45676406E-02 -7.10044025E-03 -2.88507879E-02  1.12816333E-02
 -2.16239232E-03 -3.98380955E-03  3.28448434E-05  1.29964203E-03 -4.55222414E-05
 -1.67874234E-03  2.34631353E-04  6.24774870E-04 -1.58036923E-02  2.96589389E-02
 -2.58995478E-02  1.19629096E-01  7.32065200E-03  3.22547312E-02 -7.17159191E-03
  4.66145273E-02  5.54977337E-03 -1.51557116E-02  4.44156527E-02 -1.11218376E-02
 -2.52344327E-02 -1.16682454E-02  1.84380409E-02 -4.50004144E-03 -1.53878814E-02
 -3.26462534E-03  8.26563231E-04  3.81676530E-03  9.18051363E-04 -1.88356693E-03
  1.37897105E-03 -1.09380552E-03  3.02893891E-03 -7.41349568E-03  1.66802770E-03
  1.58291840E-01  3.86769477E-03 -6.51248985E-03  1.34257307E-03  6.76664284E-02
 -6.00705677E-03  1.03968023E-02 -3.00870748E-03  2.02285355E-03  9.14172937E-03
  1.30239620E-02 -1.54455633E-03  2.08227481E-03  5.18964000E-03  1.30265555E-04
 -2.41922654E-05 -4.12170070E-04 -1.17116260E-04  2.50565560E-04 -3.89730099E-04
 -1.52593109E-02 -5.61231633E-03  9.12106492E-03 -3.02722149E-03 -1.09497485E-02
 -4.67417444E-03  2.35067561E-03 -1.89875218E-03 -4.67045398E-03  1.57453968E-03
  2.78646972E-03 -6.31652011E-03  1.12986240E-02 -1.42576866E-03 -4.03595599E-03
 -7.78189866E-03  5.01956183E-03 -1.19930313E-03 -2.31919503E-03 -5.03600872E-05
  3.43755165E-04  6.10343079E-05  4.26744130E-04  2.54487445E-04 -2.42915278E-04
 -1.60326537E-02 -4.01254973E-03 -1.47417898E-02 -1.22325838E-02  1.38362602E-03
 -4.51482788E-03 -4.48402864E-03 -3.17436258E-03  7.31857687E-04 -6.87215691E-04
  2.08286829E-03  9.46879715E-04 -2.51139160E-03  1.25294537E-03 -2.28388359E-03
 -8.99259983E-03 -3.88240209E-03  5.12230789E-04 -1.96581126E-03 -4.52482211E-03
 -4.62310752E-04  1.95947663E-05  5.80870173E-04 -1.61981021E-04 -1.60171162E-04
  5.73482910E-04 -1.75225319E-02 -1.28336714E-03  2.01101358E-04  1.57756031E-02
  1.17380233E-02  2.12514927E-03  1.26363183E-04  5.26373214E-03  4.74286204E-03
 -3.51914589E-04 -5.49821625E-04  1.42080710E-03  1.27896182E-03 -2.40958822E-03
  3.49442808E-03  1.08173681E-02 -2.89416095E-03  1.09257051E-03  1.35127923E-03
  6.15408275E-03  1.47727831E-04 -9.66297190E-05  3.16555446E-04 -1.77612237E-04
  9.28612480E-04 -4.28999530E-04  8.14915705E-06  1.22053865E-03 -1.88966200E-03
 -2.85535448E-03 -1.81933297E-02  1.01903642E-02 -4.98140819E-03 -2.25270030E-03
 -5.48724406E-03  3.06113981E-03  7.71196066E-05  8.30748343E-04 -7.14607877E-04
  2.15190406E-03  3.87201985E-03 -7.18995151E-03  8.90976284E-03 -2.41015901E-03
  5.86717458E-03 -8.95380782E-03  4.67337797E-03 -2.20408355E-03  3.52507083E-03
  2.30432336E-04  1.88615685E-04 -1.76359753E-04 -3.61645600E-04  3.97428027E-04
 -3.91074686E-04 -1.08758104E-03  2.12873338E-03 -1.14113742E-02  9.50355823E-03
 -2.81513336E-03  3.13045867E-03 -4.43136690E-03  3.89017796E-03 -2.23214988E-03
 -3.04732919E-04  2.29389372E-04  8.66603847E-05 -4.86995423E-04  1.03514846E-03
 -4.57356686E-04  8.26658133E-04 -2.35975086E-03 -3.78986151E-03 -2.72961679E-03
 -5.11749066E-04  3.71210000E-04 -2.42276976E-03  1.64726264E-03 -4.57555205E-04
 -1.92955647E-04  6.46244783E-04  2.10857642E-05 -4.37607448E-04  5.65423098E-04
 -3.09276446E-04  4.25246705E-04  1.00431332E-02  2.24973240E-03  2.03913025E-02
  1.25162317E-03  2.88853827E-03  7.92533593E-04  4.30261823E-03 -2.25010795E-04
 -4.98438374E-04  6.77126106E-04  4.82195457E-04  5.10820826E-05  2.60521630E-03
 -4.50540371E-03  9.66909846E-03 -1.47832838E-02 -9.76868968E-03  5.02675081E-03
  2.04664052E-02 -4.07517335E-03  2.81624994E-03  1.82816194E-03 -5.85009029E-04
 -1.11896083E-03  2.92523984E-04 -1.51885950E-03  3.09688373E-04  4.59347721E-04
  3.84178736E-03 -3.24357281E-03  1.65142939E-02  3.05238935E-02 -4.04018143E-03
  2.32758051E-02 -6.67629507E-03 -2.13725605E-03  2.45283688E-03  2.24958777E-03
 -7.72793744E-03  2.88921017E-03 -4.77037393E-03 -1.43424156E-04  9.00910566E-04
  2.07511735E+00  9.33281330E-03 -2.01267158E-02  3.17516624E-02  1.86380384E-02
 -1.09846845E-02 -3.80104179E-02  8.79455913E-03 -3.80750022E-03 -3.76297850E-03
  1.11471467E-03  2.22394332E-03 -5.48543776E-04  3.26389953E-03 -5.44993947E-04
 -1.01526244E-03 -8.53742983E-03  6.31965330E-03 -3.94053030E-02 -8.17397696E-02
  8.92513371E-03 -6.17677096E-02  1.19976325E-02  3.52548825E-03 -4.43318632E-03
 -4.10924836E-03  1.83046550E-02 -6.77186067E-03  1.19789288E-02 -2.02180300E-04
 -2.39230463E-03 -1.76126346E-01  5.02609545E-01  1.59189250E-02 -3.14096545E-02
  4.73749916E-02  1.17043073E-02 -2.53759531E-02 -1.01546790E-01  2.64915601E-02
 -1.02012901E-02 -4.47263775E-02  1.50651670E-03  2.47589317E-03 -1.18374492E-03
  4.77918691E-03 -9.42889680E-04 -2.57787265E-03 -2.85075603E-02  5.46444117E-02
 -6.27449404E-02 -1.20794174E-01  1.51642741E-02  5.28681054E-02  1.23357174E-02
 -3.77396659E-02  2.53917484E-02 -1.85577147E-02  2.13120659E-02 -5.41637789E-03
 -3.64019860E-03  8.18132936E-04 -9.59883540E-03 -1.96656760E-02  3.28649901E-02
  5.94922499E-01 -2.86058780E-03  1.98743979E-03  5.86365726E-03  1.28528062E-02
  2.99078033E-04  8.86740131E-02  4.88607757E-03  4.63006539E-02  8.64139281E-03
  4.53470423E-03 -2.13699588E-03 -1.00087922E-03  4.61056591E-03 -2.46289127E-03
 -1.63570326E-03 -6.15238752E-02  1.30976517E-01 -1.44147527E-01 -2.92816048E-01
  3.31051402E-02  8.25724839E-02 -1.06032961E-01 -9.68893387E-02  2.71017333E-02
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  1.93737064E-03 -1.41840191E-02 -6.19557042E-03 -6.86209776E-04 -1.97925881E-03
  1.21117889E-03  2.39495834E-03 -4.34617676E-04 -3.41006767E-02 -3.66973251E-02
 -3.93303656E-03  2.69536315E-03 -3.93306063E-03  2.69527492E-03  1.67335642E-01
  1.48814638E-01 -5.36845487E-02  1.03291533E-01  1.38127054E-01 -1.52334819E-01
  1.66503617E-01  9.71463919E-02  6.82481214E-02 -6.85259728E-02  8.07218638E-02
 -3.03053769E-04  3.39486970E-04  1.12866019E-03 -8.39061374E-03  9.78296283E-03
 -9.63172093E-03  5.87597316E-03 -1.74342062E-02 -3.45136339E-02  5.59918821E-03
 -7.03248837E-03 -1.53671001E-02 -2.56985277E-02 -1.79224796E-03 -2.39622973E-03
  5.79298887E-03  5.14660256E-04 -3.31170760E-03 -5.87876800E-03  4.43444280E-03
 -1.70273004E-03  4.71840047E-03 -9.29532093E-03 -1.19546560E-02 -7.41527356E-03
  1.33215145E-03 -2.39827525E-02 -6.79920381E-03 -9.23554276E-03  1.24825781E-03
  1.47263837E-03  1.60553237E-04  3.13489227E-04 -1.63061083E-03  3.35623953E-04
 -4.79799364E-04  4.83555622E-03  5.32646256E-03 -1.75439674E-02 -2.09361721E-02
  2.80268349E-02  4.67241933E-02 -2.20210822E-02 -4.26342225E-02  2.10749067E-01
 -7.77871726E-03  2.52603945E-02  1.19420057E-01 -1.26976166E-01  1.37271223E-01
  1.84458358E-02  5.57638396E-02 -5.98956030E-02  6.09601979E-02  8.56766304E-04
  2.67859426E-04  1.74967966E-04 -7.71404411E-03  8.49898359E-03 -8.46331832E-03
  8.07257730E-03 -1.93878832E-02 -6.85061226E-02  2.77619062E-02 -2.62724946E-02
 -1.19111308E-02 -3.02763886E-02  7.55409345E-03 -5.06275433E-03  2.11440907E-03
  2.37051442E-03 -2.23048940E-03 -6.93478895E-03  5.60774981E-03 -5.47102257E-03
 -1.26685923E-03  2.32181752E-03  2.45258673E-02 -3.16378259E-02  5.01454040E-02
  3.11692423E-03  2.07505695E-02 -2.62912038E-02  4.04266547E-02 -1.11104042E-03
 -1.03580403E-03  1.18633028E-03 -5.44538179E-05 -3.94119682E-04  5.14188923E-04
 -4.63712718E-03 -3.50471257E-03 -2.73888905E-02 -3.50827483E-02  5.83508178E-02
  7.91487286E-02 -3.85881702E-02 -3.81627845E-02  1.58286551E-01  1.38349514E-01
 -5.36845530E-02  1.03291576E-01 -1.96838867E-02 -1.20090904E-01 -2.34945034E-01
  9.71463590E-02 -8.31134814E-03 -5.28832679E-02 -1.14034699E-01 -8.03022588E-03
 -2.58408161E-03  1.17794209E-02  7.82106951E-04  8.51351186E-04  1.08896771E-02
  5.87597128E-03 -1.74341752E-02 -2.02589636E-02  2.68667035E-03  2.92292903E-02
 -1.53671368E-02 -1.73321633E-02 -3.50160729E-03  1.88866030E-02 -2.51237467E-03
 -4.36382568E-04  5.94470916E-03 -2.21166467E-03 -5.66281304E-03  4.70431799E-03
  4.71840105E-03 -9.29534069E-03 -1.00777010E-02 -7.79876636E-03  6.10688171E-03
 -2.39826925E-02 -6.33683167E-03 -9.32998028E-03  2.42439980E-03  5.66201735E-04
 -9.38848542E-05  1.47435554E-03 -8.04724214E-04 -7.32193682E-04  1.29528958E-03
  4.83555840E-03  5.32647604E-03  2.80268255E-02  4.67241427E-02 -1.75439633E-02
 -2.09361510E-02 -2.20211008E-02 -4.26342900E-02 -2.22282654E-02 -4.10995883E-02
  2.10749094E-01 -7.77871025E-03  2.52604081E-02 -1.22357038E-02 -1.00076236E-01
 -1.97642455E-01  1.84457774E-02 -3.62038128E-03 -4.77621565E-02 -9.01049674E-02
 -6.76594904E-03 -2.34576021E-03  1.04113174E-02  5.70526822E-04 -3.73262013E-04
  9.84931300E-03  8.07258081E-03 -1.93878730E-02 -3.09678223E-02  2.00920770E-02
  6.92196413E-02 -1.19111719E-02 -1.83772704E-02  5.12291461E-03  2.52069089E-02
 -4.83424405E-03  4.12135863E-04  6.67654850E-03 -5.81280603E-04 -2.57619607E-03
  8.19318817E-03 -1.26687065E-03  2.32182180E-03 -1.76819220E-02 -2.30139335E-02
 -5.72253401E-02  3.11702827E-03 -1.35799273E-02 -1.92767678E-02 -4.69054228E-02
  2.45372152E-04 -8.81844396E-04 -3.24059387E-04 -6.49522603E-04  1.25524900E-03
 -5.22517636E-04 -4.63714513E-03 -3.50471524E-03  5.83508205E-02  7.91487149E-02
 -2.73888903E-02 -3.50827453E-02 -3.85881639E-02 -3.81628054E-02 -4.10996190E-02
 -4.65805645E-02  1.58286579E-01  1.38349555E-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
