Gaussian population workflow water-dimer-populations                    
SP        RB3LYP                                                      6-31+G(d)           
Number of atoms                            I                6
Charge                                     I                0
Multiplicity                               I                1
Number of electrons                        I               20
Number of alpha electrons                  I               10
Number of beta electrons                   I               10
Number of basis functions                  I               46
Atomic numbers                             I   N=           6
           8           1           1           8           1           1
Nuclear charges                            R   N=           6
  8.00000000E+00  1.00000000E+00  1.00000000E+00  8.00000000E+00  1.00000000E+00
  1.00000000E+00
Current cartesian coordinates              R   N=          18
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  1.81413708E+00  0.00000000E+00  1.75631146E+00 -4.54290160E-01  0.00000000E+00
  0.00000000E+00  5.48020576E+00  0.00000000E+00  1.43441551E+00  6.59085450E+00
  0.00000000E+00 -1.43441551E+00  6.59085450E+00
SCF Energy                                 R     -1.528530829526657E+02
Total Energy                               R     -1.528530829526657E+02
Dipole Moment                              R   N=           3
 -3.98709639E-15  6.73769795E-01  1.61032238E+00
Mulliken Charges                           R   N=           6
 -9.81526439E-01  5.48230460E-01  4.49558957E-01 -9.84651066E-01  4.81568037E-01
  4.86820052E-01
Shell types                                I   N=          18
           0          -1          -1          -1           2           0
           0           0           0           0          -1          -1
          -1           2           0           0           0           0
Number of primitives per shell             I   N=          18
           6           3           1           1           1           3
           1           3           1           6           3           1
           1           1           3           1           3           1
Shell to atom map                          I   N=          18
           1           1           1           1           1           2
           2           3           3           4           4           4
           4           4           5           5           6           6
Primitive exponents                        R   N=          40
  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  1.87311370E+01  2.82539436E+00  6.40121692E-01  1.61277759E-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
  8.45000000E-02  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
Contraction coefficients                   R   N=          40
  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  3.34946043E-02  2.34726953E-01  8.13757326E-01  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  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=          40
  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  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  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  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Total SCF Density                          R   N=        1081
  2.07258473E+00 -1.76781125E-01  5.12118204E-01 -2.17766717E-16  2.52751115E-16
  8.20792419E-01  3.18961286E-02 -6.79203071E-02  9.88299529E-16  6.11807903E-01
  2.19429384E-02 -5.14599651E-02 -8.95172513E-17  5.49022497E-02  6.14244955E-01
 -2.17060204E-01  5.44691416E-01 -1.68138157E-16 -1.97800576E-01 -1.19560474E-01
  6.11366269E-01 -2.79342688E-17  1.93653752E-16  5.57413830E-01  7.53825287E-16
 -2.69264005E-16 -8.37017272E-17  3.78580007E-01  2.01684827E-02 -4.80867199E-02
  1.88037354E-15  3.47821546E-01  5.67037399E-02 -1.24496245E-01  1.31232132E-15
  1.98927411E-01  1.24259163E-02 -3.07223985E-02 -2.33885071E-16  5.75640371E-02
  3.53524564E-01 -7.50215680E-02 -2.69546358E-16  4.72726415E-02  2.04623659E-01
 -3.45819919E-02  7.22005241E-02  4.47415370E-15 -2.60107693E-02 -1.34019445E-02
  8.02057088E-02  3.05386229E-15 -1.62721191E-02 -8.67349721E-03  1.14219079E-02
 -2.44118091E-16  9.95579411E-17  1.63945187E-01  2.18697242E-16 -5.93265418E-17
  8.02764743E-19  1.11283608E-01  3.89055727E-16 -7.77191628E-17  8.90978153E-16
  3.28416480E-02  3.43447601E-03 -5.21238505E-03  1.17208674E-15  5.95408044E-02
  3.01410386E-02 -2.01170475E-02  7.98865328E-16  3.48287834E-02  1.97757726E-02
 -2.45823459E-03  2.30658831E-16  6.86077952E-03  4.80085020E-03 -9.95659114E-03
 -2.90875866E-15  4.03425140E-02  5.78635189E-02 -2.40480002E-02 -1.97188756E-15
  2.52380896E-02  3.47097163E-02 -2.34741740E-03 -6.03683834E-16  6.17079173E-03
  7.93529939E-03 -1.29355723E-02 -8.02269772E-03 -4.32967637E-17 -1.00216795E-02
 -1.01067536E-02 -5.23001644E-03 -2.93305926E-17 -5.92052509E-03 -6.25501337E-03
 -5.25594799E-04 -4.06615794E-18 -1.40679782E-03 -1.33431165E-03  6.49232079E-04
 -1.97955202E-02  7.11138426E-03 -6.01716272E-17  4.47923255E-02 -1.23448677E-02
 -4.50459608E-04 -2.82867468E-17  2.46316241E-02 -5.12013294E-03  9.70758553E-05
 -6.80220447E-18  3.76747129E-03  1.57134747E-03 -5.30662814E-04  4.14152554E-03
 -2.25927199E-02  1.30913452E-02  3.18370044E-16 -9.95860034E-03  3.74016184E-02
  1.22761938E-02  1.98903715E-16 -4.27040481E-03  2.10065399E-02  1.89149995E-03
  6.77780833E-17  6.83129532E-04  2.74704904E-03 -5.54413594E-04 -1.26352031E-03
  3.17680243E-03  6.88217307E-17 -9.31887788E-18  3.48298836E-02  1.24465249E-16
  8.03663835E-17 -5.30972968E-17  2.36541870E-02  1.29797927E-16  4.18290113E-17
  1.83185995E-16  6.95581798E-03  6.06208557E-17 -1.10652391E-16 -4.20913097E-18
  1.19559987E-18  1.62780656E-17  1.47800021E-03  3.15609704E-16  3.16631746E-17
  2.55054938E-02  3.50555325E-16  1.18921620E-16 -6.09615990E-17  1.73316821E-02
  2.42151244E-16  7.63163988E-17  1.33904320E-16  5.07610357E-03  7.27286255E-17
 -5.60162659E-17 -1.17001526E-17  1.83230781E-17  8.82211267E-18  1.08252554E-03
  7.96106711E-04  5.56057216E-03 -1.26134360E-02 -7.40836073E-17  1.82453562E-02
  2.93575394E-02 -1.93004357E-02 -5.75707936E-17  1.16622988E-02  1.75379400E-02
 -2.45615470E-03 -1.78797511E-17  2.84368425E-03  3.69197247E-03 -5.57967372E-04
  3.98541947E-04  1.18515148E-03  2.95209601E-18  1.06402951E-17  1.95132640E-03
 -3.71867983E-02  8.14773905E-02  5.26781310E-16  1.55795724E-03  3.14025571E-01
  5.63284640E-02  2.23364607E-16  1.24082145E-02  1.80133601E-01  7.01181232E-03
  1.00154671E-16  1.34802736E-02  2.64154850E-02 -7.12047980E-03 -6.28174644E-03
  2.27749112E-02  5.24378685E-17  6.98199712E-17  1.25471243E-02  1.88220752E-01
  3.14266849E-02 -7.88521000E-02  9.49215078E-16 -5.73927056E-03  1.03174109E-01
 -8.97882894E-02  5.83273963E-16  2.17120147E-03  5.83743822E-02 -1.09897882E-02
  2.14219900E-16  3.24545311E-03  9.42837131E-03 -1.88007279E-07 -4.70735287E-03
  4.47867108E-03  5.31269160E-17  3.05525140E-17  5.76595892E-03  3.74997746E-02
  2.84667394E-02 -3.52367507E-02  8.10740721E-02 -5.98808681E-16  3.08862854E-01
 -8.05616079E-02  2.87012685E-02 -3.18558138E-16  1.69446008E-01 -3.24907964E-02
  3.52101953E-03 -9.98506420E-17  2.63459874E-02  1.03882468E-02 -5.44755661E-03
  2.79390067E-02 -8.55811103E-03  1.10057518E-18  1.40507067E-16  2.45468818E-03
 -3.23590733E-02 -3.67311277E-02  1.98203675E-01  2.88008595E-02 -6.84827772E-02
 -6.39980585E-15  1.59236986E-01 -3.35778732E-02 -9.91855440E-02 -4.30373724E-15
  8.93505188E-02 -1.25116234E-02 -1.36520717E-02 -1.29101916E-15  1.31419285E-02
  6.17133155E-03 -9.07144675E-04  1.16805714E-02 -7.26120992E-03 -2.55345620E-16
 -1.27175293E-16  3.50413740E-03 -3.49899395E-02 -2.03410370E-03  7.72438864E-02
  5.12577375E-02 -1.27894097E-03  3.40311126E-03  7.00416778E-16  1.41175067E-03
  1.72207894E-02  5.50032140E-03  5.94730517E-16  1.53636229E-03  1.21919936E-02
  4.09614868E-03  7.93621163E-16  9.95810838E-04  3.97053763E-03 -2.48899319E-04
 -8.68652620E-05  1.62644519E-03 -1.07122621E-15 -1.48218614E-15  6.83538881E-04
  6.25700783E-05 -4.64043304E-03 -1.39869011E-03 -2.62593183E-03  2.07190205E+00
  3.54615799E-03 -1.01780410E-02  4.86055942E-17 -4.47746335E-03 -4.45049173E-02
 -9.37696740E-03 -1.02653420E-16 -3.97524075E-03 -2.81726142E-02 -2.60482038E-03
 -8.19254250E-17 -2.10276467E-03 -6.28429546E-03  7.57540865E-06 -2.89374141E-04
 -3.68220282E-03 -1.99769936E-16 -2.28336417E-17 -1.84228426E-03 -3.93476293E-03
  1.68040635E-03  2.83536123E-03  5.01531006E-03 -1.76921453E-01  5.15482941E-01
 -2.03036316E-16 -2.68238066E-16 -1.95187042E-02 -7.93795076E-16  6.47530258E-16
  1.84166002E-15 -8.17679828E-03 -7.98873597E-16  1.25624098E-15  6.95030328E-16
 -1.28032667E-02  2.63108188E-16  1.86334981E-15 -3.82725773E-16 -9.31123175E-17
 -3.45946783E-16 -7.24678445E-04  1.11119721E-03  9.82261408E-17 -1.93492077E-16
 -3.94810457E-15  3.78092423E-16  1.50597668E-15 -4.33599010E-16  4.39128640E-16
  8.33235832E-01 -4.64791657E-04  1.06707575E-03  6.91092552E-17 -4.88362577E-03
 -1.49249054E-03  1.88371192E-03 -7.13639241E-17 -1.41960967E-03 -8.00071907E-04
 -3.27401276E-03  4.47235722E-17 -4.67089450E-03 -5.86478058E-04  1.02842060E-04
 -1.78800219E-04  5.18050917E-05  2.14815537E-17 -6.83546970E-18  4.57319357E-04
 -4.48383783E-04 -4.98379764E-04 -3.03212766E-03  3.26229947E-03  3.11637793E-04
 -4.67174793E-04 -1.42597785E-16  5.58615689E-01 -6.91075349E-03  2.70090890E-02
 -3.37190304E-16  3.94616685E-03  6.58265900E-02  3.40148362E-03 -4.54396684E-18
  4.97011391E-03  3.42760095E-02  2.40986469E-02 -1.31901559E-16  4.98275391E-03
  2.28950500E-02  2.97298652E-03  3.44373787E-03  6.58145144E-03  3.35788679E-17
  1.02741295E-16  2.42003516E-03 -1.01414030E-02  2.08157068E-02 -3.81127764E-03
 -1.61526039E-02  3.81694965E-02 -8.20907510E-02  7.51488655E-16 -3.44115129E-04
  6.56787626E-01  1.67403965E-03 -8.88106511E-03 -4.41138053E-15 -5.45393306E-03
 -7.15202367E-02 -1.66969743E-03 -3.17014902E-15 -5.75472239E-03 -4.28998540E-02
 -6.65777586E-03 -9.71775381E-16 -3.64824478E-03 -1.23371252E-02 -5.27995685E-04
 -5.36344595E-04 -5.70942126E-03 -3.85540129E-16 -1.66635597E-16 -3.05914940E-03
 -7.30318869E-03 -5.79339197E-03  7.19166218E-03  8.75389329E-03 -2.09538566E-01
  5.31404067E-01  1.00755705E-15 -3.08943477E-03 -2.22143032E-01  5.77874999E-01
 -3.18898309E-16 -2.12440294E-17 -1.58519665E-02 -5.20543882E-16 -7.41032240E-17
  1.47292403E-15 -7.32028621E-03 -5.61597737E-16  5.63078107E-16  4.72245059E-16
 -9.20657925E-03  1.60600766E-16  1.21650036E-15 -2.56478073E-16 -4.66364088E-17
 -2.64671807E-16 -6.02402742E-04  6.72606872E-04  4.10859062E-17 -3.41452809E-16
 -2.79762751E-15  3.89972820E-16  1.07423018E-15 -1.11143618E-15  2.20419287E-16
  5.65275582E-01 -8.21811790E-16  2.25523110E-17  7.50788511E-16  3.83496955E-01
  4.48212879E-04 -1.11331179E-03  6.16773224E-16  8.58751410E-04  2.09302746E-04
 -1.47017238E-03  3.60565827E-16  1.24300780E-03  2.94274571E-04 -2.09491441E-03
  1.31885946E-16 -2.09141371E-03 -6.51361681E-05 -2.64595483E-06  9.78126514E-05
 -2.80534598E-05  3.61157256E-17  1.74329189E-17  3.93063774E-04  3.70026757E-05
 -2.27505523E-05 -2.46505737E-04  2.69610423E-03 -3.35614868E-04  8.24845193E-04
  5.96604658E-16  2.91635136E-01 -1.99524321E-03 -1.92964525E-04  2.44963755E-17
  1.52282843E-01 -2.06722165E-03  1.14105255E-02 -2.22919256E-15  5.34765318E-04
  3.47588862E-02 -2.32387070E-03 -1.37040772E-15  1.83030980E-03  1.77679743E-02
  1.43606733E-02 -4.79322607E-16  2.62226045E-03  1.36258243E-02  2.10888391E-03
  2.04560187E-03  3.57836563E-03 -5.84782906E-17 -5.46880518E-19  1.27520002E-03
 -1.12660777E-02  1.25534307E-02 -3.57365441E-03 -9.44141830E-03  2.71227753E-02
 -6.67122939E-02  1.37427907E-16 -7.77349360E-04  4.08514934E-01 -1.53667969E-01
 -1.93803922E-16 -1.56909052E-03  2.54753132E-01 -1.64202086E-03  5.32201319E-03
 -3.98384782E-15 -7.73354234E-03 -5.06608015E-03  8.02609819E-03 -2.74231363E-15
 -4.64485694E-03 -3.30263576E-03 -4.45797647E-04 -7.95713028E-16 -9.82532526E-04
 -2.12935962E-03 -2.73843987E-04 -7.00794393E-04 -1.87216741E-04 -1.90703612E-16
 -1.30239654E-16 -4.84601059E-04  4.02789835E-03 -1.23239913E-03 -2.15337096E-03
 -1.48171081E-03 -3.13846552E-02  6.42215101E-02 -7.79098956E-16  6.60264314E-04
 -4.62207560E-02  7.39969412E-02 -4.96230952E-16  5.20840942E-04 -3.06776030E-02
  1.02800423E-02 -1.39894032E-16 -1.12258950E-16  8.36537804E-03 -1.57741078E-16
  4.01312792E-16  2.41651092E-16  6.60918501E-03 -1.19420355E-16  3.85934289E-16
  1.80554271E-16  4.36065981E-05  6.94812776E-17  3.23559448E-16 -7.23525381E-17
 -2.71531318E-17 -4.04578176E-17  3.73910639E-04  5.73858220E-04  3.06448548E-17
  1.13929674E-16 -6.46502345E-16 -1.49277677E-17  1.62034748E-16 -2.36558401E-18
  3.24085367E-16  1.51988204E-01  6.09675902E-16  2.21776544E-16  3.31406805E-16
  1.03072381E-01  4.49983150E-16  3.67076016E-17 -1.75350927E-16  2.78971126E-02
  5.07139023E-03 -1.23585041E-02  1.80607421E-15  2.31124811E-02  1.48319671E-02
 -1.86241330E-02  1.20812850E-15  1.38696864E-02  9.46805338E-03 -2.70744996E-03
  3.78396206E-16  2.51002893E-03  2.58174798E-03 -4.27807453E-04  1.13603324E-03
  1.51492318E-04  8.17486210E-17  6.50440096E-17  1.45149873E-03  5.08636396E-03
  3.14024892E-03  7.47228405E-03  6.22997856E-03 -2.83390087E-04  3.23721949E-04
 -1.65711133E-15  2.56321844E-02 -2.71761086E-03  3.86118910E-04 -1.17333337E-15
  1.35597655E-02 -1.83922192E-03 -8.01632713E-05 -2.41332462E-16  2.51417834E-03
  1.96165606E-03 -3.98061302E-03 -2.26517945E-15  6.66186319E-03  1.53662565E-02
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