OH separate EFG properties                                              
SP        UB3LYP                                                      6-31+G(d)           
Number of atoms                            I                2
Charge                                     I                0
Multiplicity                               I                2
Number of electrons                        I                9
Number of alpha electrons                  I                5
Number of beta electrons                   I                4
Number of basis functions                  I               21
Atomic numbers                             I   N=           2
           8           1
Nuclear charges                            R   N=           2
  8.00000000E+00  1.00000000E+00
Current cartesian coordinates              R   N=           6
  0.00000000E+00  0.00000000E+00 -2.80542877E-03  0.00000000E+00  0.00000000E+00
  1.85473703E+00
SCF Energy                                 R     -7.573350353231388E+01
Total Energy                               R     -7.573350353231388E+01
Shell types                                I   N=           7
           0          -1          -1          -1           2           0
           0
Number of primitives per shell             I   N=           7
           6           3           1           1           1           3
           1
Shell to atom map                          I   N=           7
           1           1           1           1           1           2
           2
Primitive exponents                        R   N=          16
  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
  8.45000000E-02  8.00000000E-01  1.87311370E+01  2.82539436E+00  6.40121692E-01
  1.61277759E-01
Contraction coefficients                   R   N=          16
  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  1.00000000E+00  3.34946043E-02  2.34726953E-01  8.13757326E-01
  1.00000000E+00
P(S=P) Contraction coefficients            R   N=          16
  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
  1.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00
Total SCF Density                          R   N=         231
  2.07841618E+00 -1.95116013E-01  5.67884537E-01 -2.52376421E-17  1.99452603E-16
  8.83230991E-01 -8.06145461E-17  1.47573039E-16 -1.67777876E-02  4.82937689E-01
  3.45066639E-02 -7.19133427E-02 -1.10052324E-16 -1.08071501E-16  6.27280135E-01
 -2.29096545E-01  5.78962163E-01 -1.38944818E-15  9.62661986E-16 -2.10674541E-01
  6.21767370E-01 -6.78177500E-17  3.96178011E-16  5.62137429E-01 -1.14261507E-02
 -4.82119345E-16 -5.44278352E-16  3.57868702E-01 -2.94791025E-16  2.34856719E-16
 -1.14261923E-02  2.89526361E-01 -2.02709471E-16  7.60644787E-16 -7.72440623E-03
  1.73576460E-01  1.60655326E-02 -3.81070285E-02 -3.09338539E-16 -2.71996618E-16
  3.22841561E-01 -1.09531168E-01 -4.13039547E-16 -2.33745742E-16  1.66165227E-01
 -2.20899208E-02  4.27160704E-02 -7.61510828E-16 -2.58175906E-15 -5.65505836E-02
  5.52167798E-02 -4.36186036E-16 -1.52369781E-15 -2.91888340E-02  7.55488693E-03
 -2.84478714E-17 -1.34058777E-16  1.41743034E-01 -4.10212476E-03  2.15301314E-16
 -4.51190713E-16  9.03535112E-02 -2.68446971E-03  6.36516614E-17 -1.47313527E-16
  2.29589663E-02 -2.38847083E-16  2.85859303E-16 -4.10199694E-03  4.38724360E-02
 -7.90848636E-17  3.79961908E-16 -2.68437962E-03  2.63062355E-02 -5.96346042E-17
 -2.08137226E-16 -7.94892412E-04  3.99347985E-03  3.40327425E-04  1.63543753E-03
 -1.28728019E-16 -8.04853403E-16  3.10415973E-02 -5.41486997E-03 -8.86499132E-17
 -4.88941399E-16  1.59779502E-02 -2.51911677E-03  2.86589007E-18 -7.40722637E-17
  1.61909115E-03 -1.31195935E-02 -6.59145479E-03  2.94775048E-16 -2.36947574E-16
 -7.81001309E-03 -4.39837378E-03  1.91401599E-16 -1.40779583E-16 -4.00021399E-03
  3.22021154E-04  5.20726825E-17 -2.40745606E-17 -4.92357170E-04  3.86944018E-04
 -1.70265993E-02  2.39360322E-03  8.72313466E-18 -6.03422038E-17 -1.00594014E-02
  4.40377548E-03  1.44317862E-17 -3.31048006E-17 -5.13667687E-03  9.15072039E-04
 -4.36273572E-18 -2.80856011E-18 -4.10486766E-04  7.01001197E-05  6.44496977E-04
 -2.09812044E-02  1.14073934E-02  7.85097367E-17 -7.52528954E-17  4.92762827E-02
  8.33091916E-04  2.31100457E-17 -4.98666786E-17  2.53321650E-02 -3.21390641E-03
  2.91037776E-17 -3.17467470E-18  2.55179365E-03 -6.21005320E-04 -7.95572257E-04
  4.64820393E-03 -1.89091084E-04  4.34858469E-04 -1.58843279E-16 -4.53519171E-18
 -1.08867547E-04  4.26006500E-04 -1.01420935E-16 -2.38158649E-18 -5.50033869E-05
  2.87026223E-05 -2.68489982E-17  3.02955283E-19  3.96225635E-06 -1.53345633E-05
  2.77996358E-05 -8.44881306E-06  2.08760554E-06 -2.64847065E-17  8.94244312E-17
  3.72058659E-02 -7.26415346E-04 -5.58400787E-17  3.00533946E-17  2.36786834E-02
 -4.93056309E-04 -3.93960452E-17 -2.28572826E-17  5.96909052E-03 -1.74501583E-04
 -7.06477457E-18  1.02792553E-17  4.92016183E-18 -3.62363754E-19 -6.35878114E-18
  1.56730436E-03  5.46940608E-18  6.32024324E-18 -7.26418078E-04  1.98746659E-02
 -8.03565759E-17  5.99921057E-17 -4.93056324E-04  1.19151304E-02 -5.04512163E-17
 -9.89901426E-17 -1.74507428E-04  1.80561420E-03 -3.75544356E-17 -7.51151933E-18
 -4.14602126E-18 -7.94260045E-18 -3.69920283E-19 -3.14097290E-05  8.17917252E-04
 -2.73498816E-02  6.62205066E-02  1.68467627E-17  1.31083961E-16  3.35389526E-01
 -8.73558656E-03 -1.60676378E-16  2.83935136E-17  1.72440096E-01 -2.35073710E-02
  9.92846846E-17  2.55708523E-17  1.76153111E-02 -5.41970166E-03 -5.21336543E-03
  2.97055448E-02  9.98524571E-06 -1.67238069E-17 -3.55952507E-17  1.99407016E-01
  3.65452689E-02 -8.62135691E-02  1.89784063E-15  1.89822953E-15  1.97432053E-01
 -1.29548014E-01  1.05902345E-15  1.07422269E-15  1.01760583E-01 -2.20479377E-02
  3.86617857E-16  1.14942458E-16  9.25427158E-03 -1.62101095E-03 -3.34846070E-03
  1.35432134E-02 -8.36056119E-05  5.27082864E-17  5.52673679E-17  9.40197364E-02
  6.97093720E-02
Spin SCF Density                           R   N=         231
  5.62157741E-04 -5.53824108E-03  2.31075584E-02  4.00572679E-17 -4.68220218E-16
  1.97966718E-02 -7.93503825E-17  6.29014371E-17  1.93486239E-02  4.81426147E-01
 -1.34119627E-03  1.47061650E-03  2.07110325E-16 -2.69335489E-16  2.05702496E-02
  2.48626746E-03  5.99376592E-03  3.24292181E-16  8.11535919E-16  7.45552062E-03
 -1.45785508E-02 -2.27748459E-17 -1.90546588E-16  3.56351588E-03  1.19447886E-02
 -2.62655039E-16  4.03877706E-16 -3.48456947E-03 -3.45425892E-17  8.95202083E-18
  1.19448301E-02  2.88548508E-01 -7.12071450E-17  4.29740947E-16  7.39480219E-03
  1.72943865E-01 -1.19222596E-03  1.67439771E-03  5.72732330E-16 -3.84944071E-16
  9.14388959E-03  5.09918618E-03  1.65550355E-16 -1.84577332E-16  3.96058633E-03
  1.39071829E-03 -3.24488442E-03  9.46892107E-17 -2.61194354E-15  4.63403686E-03
 -6.20676858E-03  1.05419109E-16 -1.57790581E-15  2.57257486E-03 -1.41120524E-03
  1.82041665E-17 -1.11155792E-16 -1.04115641E-02  2.26407993E-03  1.40574064E-16
  2.37428605E-17 -8.07851451E-03  1.43397733E-03  1.51045096E-16  2.54363516E-17
 -3.85375261E-03 -6.12185718E-18  9.02117111E-18  2.26395223E-03  4.36060823E-02
 -4.76891350E-17  6.99815444E-17  1.43388747E-03  2.61339251E-02 -4.78717997E-17
 -2.38271538E-16  3.26916642E-04  3.94654483E-03 -1.33420737E-03  3.21183104E-03
 -7.87867740E-16 -7.86150561E-16 -2.79698440E-03  4.19247248E-03 -5.14997173E-16
 -4.64305548E-16 -1.50904377E-03  7.14085129E-04 -1.19963766E-16 -6.85983711E-17
 -2.80183700E-04  1.93746214E-03 -6.81909237E-03 -2.70752923E-16 -2.10825457E-16
  5.18718341E-04 -6.81694704E-03 -1.74048069E-16 -1.28357272E-16  2.89353687E-04
 -5.09997125E-04 -4.66073316E-17 -2.09612706E-17 -2.01505443E-05  1.62084388E-04
 -6.47367251E-03  1.40736675E-02  1.07156393E-16 -5.95191310E-17 -3.24031532E-03
  1.44921768E-02  8.18879975E-17 -3.33068569E-17 -1.66754693E-03  1.08014547E-03
  1.09214252E-17  1.59317038E-18  3.24824395E-05 -1.48426736E-04  1.71945020E-04
  1.88082893E-03 -6.65702657E-03 -6.61529095E-17 -8.59112565E-17  3.21624563E-03
 -6.97133767E-03 -7.57005871E-17 -4.68461448E-17  1.58147663E-03 -3.26173015E-04
 -1.54670544E-18 -1.29645640E-17 -1.23426162E-04 -8.27253357E-05  1.48360383E-04
 -4.17345345E-05 -4.07081376E-04  1.01116599E-03  7.26732420E-17 -1.41018361E-17
 -1.81927520E-04  1.03131669E-03  4.85153554E-17 -8.38936083E-18 -9.47089421E-05
  7.69594094E-05  1.38018059E-17 -1.10469679E-18  2.54743346E-06 -1.50281209E-05
  1.55053086E-05  1.11842134E-05  1.47775498E-06 -5.34182811E-17  1.33894223E-16
  9.53956272E-04  7.90377969E-04  7.92370259E-17  1.47297783E-16  2.26556743E-04
  4.88192840E-04  6.03015575E-17  7.11013533E-18 -4.19229471E-04  9.27773625E-05
 -2.75403528E-17 -1.52137288E-17  5.69730367E-18  6.71303995E-18  3.28384144E-18
  4.52419165E-05  4.55799009E-17 -1.09171093E-16  7.90380698E-04  1.98112025E-02
  6.73709112E-18 -8.26845846E-17  4.88192868E-04  1.18740745E-02 -6.31574272E-18
 -1.16959936E-16  9.27832071E-05  1.79443111E-03 -3.20063855E-17 -7.55505873E-18
 -2.81757041E-18 -5.69805234E-18 -6.53774882E-19  3.22741562E-05  8.15252685E-04
  1.13122386E-03 -1.89748775E-03  2.77367939E-17  2.18439446E-17 -2.48274915E-03
  1.42236035E-03 -1.76531807E-16  5.90025797E-17 -1.89219164E-03  2.68894237E-03
  5.33757363E-17 -1.29185531E-17 -1.73800625E-03 -7.02351024E-04  1.04972170E-03
 -8.44909897E-04  8.47977430E-05  6.93168489E-17 -8.36332902E-18 -1.09732888E-02
  8.01582378E-04 -3.62856877E-03  1.75703962E-16  1.93413596E-15 -8.14535449E-03
  3.28734905E-03 -3.38291514E-17  1.19307407E-15 -4.72719382E-03  2.84886657E-03
  2.56023242E-17  1.69222755E-16 -1.94152836E-03  1.14399144E-03 -2.35850303E-03
  5.13484093E-04 -1.69512820E-04  1.22531995E-17  9.94128492E-17 -8.70698299E-03
 -6.17175719E-03
Nuclear spins                              I   N=           2
           0           1
Nuclear GFac                               R   N=           2
  0.00000000E+00  2.79284600E+00
Integer atomic weights                     I   N=           2
          16           1
