Ag4 Freq RB3LYP LANL2DZ Number of atoms I 4 Charge I 0 Multiplicity I 1 Number of electrons I 76 Number of alpha electrons I 38 Number of beta electrons I 38 Number of basis functions I 88 Number of independant functions I 88 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Number of symbols in /Mol/ I 0 Info1-9 I N= 9 13 13 1002 0 0 100 6 18 -501 Num ILSW I 100 ILSW I N= 100 0 0 0 1 2 0 0 0 0 0 402 200000 4 0 0 0 0 0 0 800000 1 0 1 0 1 1 0 0 1000000 0 0 0 100000 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 720000 810000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Number of contracted shells I 32 Highest angular momentum I 2 Largest degree of contraction I 4 Number of primitive shells I 72 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Virial Ratio R 3.699211003624090E+00 SCF Energy R -5.831748125803026E+02 Total Energy R -5.831748125803026E+02 RMS Force R 7.095139934716033E-06 RMS Density R 1.294831868802802E-09 Atomic numbers I N= 4 47 47 47 47 Nuclear charges R N= 4 1.90000000E+01 1.90000000E+01 1.90000000E+01 1.90000000E+01 Current cartesian coordinates R N= 12 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 Atom Types C N= 4 Int Atom Types I N= 4 0 0 0 0 Force Field I 0 MM charges R N= 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Integer atomic weights I N= 4 107 107 107 107 Real atomic weights R N= 4 1.06905090E+02 1.06905090E+02 1.06905090E+02 1.06905090E+02 Atom residue info I N= 4 0 0 0 0 Atom fragment info I N= 4 0 0 0 0 Atom residue num I N= 4 0 0 0 0 Nuclear spins I N= 4 1 1 1 1 Nuclear ZEff R N= 4 -2.45340000E+02 -2.45340000E+02 -2.45340000E+02 -2.45340000E+02 Nuclear QMom R N= 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 4 -1.13570000E-01 -1.13570000E-01 -1.13570000E-01 -1.13570000E-01 MicOpt I N= 4 -1 -1 -1 -1 Constraint Structure R N= 12 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 ONIOM Charges I N= 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ONIOM Multiplicities I N= 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom Layers I N= 4 0 0 0 0 Atom Modifiers I N= 4 0 0 0 0 Atom Modified Types C N= 4 Int Atom Modified Types I N= 4 0 0 0 0 Link Atoms I N= 4 0 0 0 0 Atom Modified MM Charges R N= 4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Link Distances R N= 16 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 MxBond I 3 NBond I N= 4 3 2 3 2 IBond I N= 12 2 3 4 1 3 0 1 2 4 1 3 0 RBond R N= 12 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 Shell types I N= 32 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 Number of primitives per shell I N= 32 3 4 1 3 2 1 3 1 3 4 1 3 2 1 3 1 3 4 1 3 2 1 3 1 3 4 1 3 2 1 3 1 Shell to atom map I N= 32 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 Primitive exponents R N= 72 2.95000000E+00 2.14900000E+00 6.68400000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 9.97000000E-02 3.47000000E-02 6.55300000E+00 1.56500000E+00 5.74800000E-01 9.08500000E-01 8.33000000E-02 2.52000000E-02 3.39100000E+00 1.59900000E+00 6.28200000E-01 2.10800000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 9.97000000E-02 3.47000000E-02 6.55300000E+00 1.56500000E+00 5.74800000E-01 9.08500000E-01 8.33000000E-02 2.52000000E-02 3.39100000E+00 1.59900000E+00 6.28200000E-01 2.10800000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 9.97000000E-02 3.47000000E-02 6.55300000E+00 1.56500000E+00 5.74800000E-01 9.08500000E-01 8.33000000E-02 2.52000000E-02 3.39100000E+00 1.59900000E+00 6.28200000E-01 2.10800000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 2.95000000E+00 2.14900000E+00 6.68400000E-01 9.97000000E-02 3.47000000E-02 6.55300000E+00 1.56500000E+00 5.74800000E-01 9.08500000E-01 8.33000000E-02 2.52000000E-02 3.39100000E+00 1.59900000E+00 6.28200000E-01 2.10800000E-01 Contraction coefficients R N= 72 -1.79105558E+00 2.02445653E+00 6.07283758E-01 1.01411151E+00 -1.24139640E+00 -4.90142462E-01 1.11283746E+00 1.00000000E+00 -1.07911702E-01 7.40364515E-01 3.72100807E-01 -4.18371335E-02 1.00875981E+00 1.00000000E+00 1.39693793E-01 4.74442076E-01 5.15631074E-01 1.00000000E+00 -1.79105558E+00 2.02445653E+00 6.07283758E-01 1.01411151E+00 -1.24139640E+00 -4.90142462E-01 1.11283746E+00 1.00000000E+00 -1.07911702E-01 7.40364515E-01 3.72100807E-01 -4.18371335E-02 1.00875981E+00 1.00000000E+00 1.39693793E-01 4.74442076E-01 5.15631074E-01 1.00000000E+00 -1.79105558E+00 2.02445653E+00 6.07283758E-01 1.01411151E+00 -1.24139640E+00 -4.90142462E-01 1.11283746E+00 1.00000000E+00 -1.07911702E-01 7.40364515E-01 3.72100807E-01 -4.18371335E-02 1.00875981E+00 1.00000000E+00 1.39693793E-01 4.74442076E-01 5.15631074E-01 1.00000000E+00 -1.79105558E+00 2.02445653E+00 6.07283758E-01 1.01411151E+00 -1.24139640E+00 -4.90142462E-01 1.11283746E+00 1.00000000E+00 -1.07911702E-01 7.40364515E-01 3.72100807E-01 -4.18371335E-02 1.00875981E+00 1.00000000E+00 1.39693793E-01 4.74442076E-01 5.15631074E-01 1.00000000E+00 Coordinates of each shell R N= 96 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 0.00000000E+00 5.31446169E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 Alpha Orbital Energies R N= 88 -3.61925699E+00 -3.61874251E+00 -3.58843585E+00 -3.58787003E+00 -2.26273734E+00 -2.25812136E+00 -2.25727639E+00 -2.25675456E+00 -2.25668188E+00 -2.25617629E+00 -2.22873795E+00 -2.22824280E+00 -2.22655780E+00 -2.22615980E+00 -2.22425722E+00 -2.22387250E+00 -3.80924050E-01 -3.79469220E-01 -3.64675250E-01 -3.59292665E-01 -3.57372800E-01 -3.53499179E-01 -3.44301495E-01 -3.41814271E-01 -3.32648151E-01 -3.30536159E-01 -3.18533010E-01 -3.13002284E-01 -3.12776584E-01 -3.12518012E-01 -3.11039435E-01 -3.08599431E-01 -3.08383832E-01 -3.07239926E-01 -3.04685762E-01 -2.97898259E-01 -2.52095992E-01 -1.70653476E-01 -1.11410139E-01 -7.10855103E-02 -4.48482745E-02 -1.97785433E-02 -1.85400345E-02 -1.81856211E-03 4.94303682E-03 2.29401826E-02 2.94251958E-02 4.02795311E-02 4.24215242E-02 4.66788559E-02 5.04173208E-02 7.48994668E-02 8.25448030E-02 8.40154954E-02 9.72863042E-02 1.06774590E-01 1.15128660E-01 1.27684548E-01 1.41727628E-01 1.50708201E-01 2.08288533E-01 2.20316163E-01 2.24340166E-01 2.30762266E-01 4.53966189E-01 4.98709643E-01 5.01483594E-01 5.10097631E-01 5.47847258E-01 5.57243657E-01 5.87651125E-01 6.07206313E-01 6.47867972E-01 7.08245511E-01 7.08690952E-01 7.15503813E-01 7.33140016E-01 7.50669052E-01 7.80934359E-01 8.18979977E-01 8.21730508E-01 8.52750596E-01 8.79204544E-01 9.84263725E-01 1.00013447E+00 1.41281744E+00 1.54751978E+00 1.58513777E+00 Alpha MO coefficients R N= 7744 7.03671196E-01 -6.50292506E-03 3.33173830E-03 -4.67002575E-03 3.39966489E-15 -2.54136636E-03 -1.44849746E-03 1.50864649E-15 -8.10252853E-04 9.55407340E-04 -4.69653687E-15 5.44210732E-04 1.53054190E-04 2.87996221E-04 -4.81455654E-16 6.34880454E-04 4.89698240E-16 -1.06805119E-03 1.18560141E-03 1.72249846E-16 -2.60582396E-04 -1.79554293E-16 3.87170990E-03 2.49472151E-03 -4.67622489E-04 5.42353672E-07 2.27612584E-16 -4.54721474E-06 2.09392331E-03 -2.52800755E-15 -3.92465947E-03 -5.88294224E-04 6.60983086E-15 1.12651517E-03 -2.75163290E-04 1.99023334E-04 2.68606874E-17 -2.13975991E-04 -1.00736474E-17 1.49939160E-03 -1.13778595E-03 -4.92592571E-17 1.07427311E-03 2.09574426E-17 7.03671194E-01 -6.50292503E-03 3.33173831E-03 4.67002574E-03 3.24958091E-15 2.54136635E-03 1.44849743E-03 5.83987884E-16 8.10252839E-04 -9.55407338E-04 -2.17960892E-15 -5.44210731E-04 1.53054190E-04 2.87996219E-04 -3.86842794E-16 6.34880451E-04 1.90015125E-17 -1.06805119E-03 1.18560142E-03 2.23790865E-16 -2.60582387E-04 -1.48889095E-17 3.87170990E-03 2.49472151E-03 -4.67622490E-04 -5.42353983E-07 -9.36073237E-17 4.54721455E-06 -2.09392331E-03 9.69668098E-16 3.92465947E-03 5.88294225E-04 5.51823658E-16 -1.12651517E-03 -2.75163290E-04 1.99023334E-04 -3.38206453E-20 -2.13975992E-04 2.12743407E-17 1.49939160E-03 -1.13778596E-03 1.21488313E-17 1.07427311E-03 -4.79435361E-17 7.02112169E-01 -1.01799266E-02 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1.77303505E-01 -1.27910489E-14 -2.46288435E-02 -5.49401160E-01 1.05035899E-13 -6.71449126E-01 4.45329946E-14 7.28628682E-02 1.30810265E-01 -1.90061881E-01 7.59817528E-03 -5.34333827E-14 5.99005325E-03 1.29987037E-01 4.95743182E-13 1.47989380E-01 8.73334761E-04 -1.33880224E-13 -5.66442273E-02 -8.25994508E-02 -5.35370436E-02 1.88526502E-14 4.24932668E-02 2.28849904E-15 2.56866501E-01 1.59507705E-01 -4.24537412E-14 -1.25859389E-01 7.31002343E-15 Total SCF Density R N= 3916 1.97632589E+00 -2.36203725E-02 3.04904104E-01 2.33062044E-03 6.92019255E-02 8.90432822E-02 -2.68604176E-03 -4.08727392E-02 -1.80724361E-02 2.00430681E+00 5.44013927E-15 4.00839365E-16 -7.56104927E-14 -2.17758395E-15 1.99659414E+00 -1.68574690E-03 -2.39877781E-02 -9.60914506E-03 -3.99209482E-03 3.70247863E-15 2.00994113E+00 -1.44833772E-02 3.63831607E-02 2.70535837E-02 -1.01561839E-02 -7.69331046E-16 1.17039690E-02 3.20222545E-02 -4.75542540E-15 7.02845335E-14 -2.87400181E-15 3.96272705E-14 9.65187371E-03 -7.51254318E-14 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1.81083794E-03 -1.23175639E-13 -4.28895722E-03 -3.12532090E-03 1.62724091E-02 5.58266786E-15 4.37332424E-03 -1.04906247E-14 -5.07396737E-04 2.64956364E-03 -2.36542629E-15 1.54087118E-03 -6.06867105E-16 3.06058053E-03 2.75105834E-03 1.67380751E-02 -7.30575003E-04 1.38773079E-14 -6.47689466E-04 -9.78770660E-03 -1.55272363E-13 6.23533762E-03 -1.14171222E-02 4.64230474E-13 6.99199841E-03 -3.55615885E-03 4.20957214E-01 6.88444954E-14 8.07829484E-03 -5.39953135E-14 -1.63737550E-03 1.19193065E-01 -1.96164923E-14 -1.03337178E-14 5.05521589E-13 1.70995509E-15 -2.73980434E-03 1.52297335E-15 8.96143753E-14 6.81277414E-03 -6.86475743E-14 3.62450072E-13 1.37186615E-03 -2.00591097E-13 9.68718496E-16 -4.88384517E-15 1.35513527E-04 4.26907649E-15 -5.50026939E-03 -1.61300848E-15 -9.89683532E-15 -7.18782558E-04 2.30477547E-14 1.75079638E-04 -2.36678218E-14 -8.45155479E-15 3.14974191E-13 2.86103641E-15 -1.90973280E-04 -4.47767099E-15 3.58820858E-14 -8.95997773E-04 1.72948590E-15 -3.66564517E-14 -2.73352431E-03 -2.23199577E-13 1.13163044E-14 -4.73954928E-15 3.49086361E-03 1.09122297E-14 -2.64747224E-03 9.84727944E-15 -1.46860717E-14 1.57363609E-03 2.03187909E-14 -1.15082647E-03 -2.59520680E-15 -3.81588859E-15 -5.95796724E-14 -2.09634192E-15 -4.84833584E-03 2.60662343E-15 1.16324711E-13 1.47393131E-02 -1.10412372E-13 1.49689124E-14 5.13026857E-03 8.59951236E-14 3.02466168E-15 -1.51038372E-15 5.75945814E-03 -4.14073769E-16 1.08002996E-03 1.67270050E-14 -3.69976765E-16 -2.80272372E-03 -1.41335640E-14 6.90182434E-04 4.18355357E-14 1.77230604E-14 -7.42791463E-13 9.21430855E-17 1.21303838E-03 -2.50364119E-15 5.97732132E-14 -1.71418752E-03 -4.18901206E-14 2.67610838E-13 -7.96495856E-03 -3.34796379E-13 -2.14605392E-14 1.20439847E-14 4.27371193E-01 -1.59254298E-14 7.88805075E-04 -2.73891112E-14 2.18737284E-14 1.21787167E-01 4.09511026E-03 1.58750660E-02 2.45946067E-02 -2.14933349E-03 8.72152284E-15 5.48352789E-03 1.41616017E-02 -1.03183560E-13 -2.25835154E-02 2.01562537E-03 4.46979452E-13 -4.73442954E-03 -2.94109863E-03 6.60420313E-03 3.36824418E-15 -1.46538354E-04 2.25947477E-14 2.34707064E-04 -1.85336872E-04 3.29788576E-15 1.87249546E-03 4.52892608E-15 6.54203614E-04 -4.45639908E-03 1.49239426E-02 1.55502219E-04 -1.99999482E-15 -5.54244998E-04 2.09715774E-03 4.23585158E-14 -5.45372600E-03 2.14436325E-03 -3.10663221E-13 -9.57760030E-04 8.25937095E-04 -2.71567708E-04 3.00013889E-14 1.47470219E-03 -1.44169130E-15 8.73465929E-04 -2.92760249E-04 1.06730097E-14 6.42750186E-04 -1.48429395E-15 3.86213030E-04 -6.20504591E-03 -6.65595527E-03 6.98165347E-05 2.91444546E-15 9.54886381E-05 3.78678203E-03 -3.93725827E-14 -2.90716820E-03 6.44251192E-03 2.56924688E-13 -3.26647928E-03 2.59077858E-03 -4.73989222E-03 -7.06844335E-15 -2.68745805E-03 3.30868387E-15 9.75541313E-04 -2.10725530E-03 1.86909384E-16 8.38410363E-05 -1.30725188E-15 -1.89375294E-03 -4.01154955E-03 -3.82894125E-02 1.20141756E-03 -1.64949195E-14 -7.35270163E-04 8.47123482E-03 1.67984403E-13 -7.07863929E-03 1.02071305E-02 -5.91330867E-13 -7.89518877E-03 1.81634587E-03 6.77336845E-03 -7.42778058E-14 4.21856620E-01 5.48203159E-14 -2.31387171E-05 3.35781225E-03 -2.40750952E-14 1.18738462E-01 2.00077290E-14 9.96972681E-15 -4.93887622E-13 -1.23378693E-15 3.99306837E-03 -8.11220946E-16 -4.41981345E-14 -1.32056532E-02 3.17819550E-14 -4.13487945E-13 -5.37618216E-03 2.29720079E-13 -4.55902697E-16 4.03156305E-15 -2.68910379E-03 -4.57707756E-15 2.64104551E-03 -6.17699876E-15 1.34314676E-14 2.07112838E-03 -1.59335634E-14 -2.26751957E-03 7.69899066E-15 -8.13522165E-16 -6.51089628E-14 -3.00002359E-17 1.04703046E-04 3.96558513E-15 -4.65647035E-14 4.90618291E-04 -3.22727763E-14 2.33182849E-13 1.50394795E-03 1.58472691E-13 -6.63767658E-15 6.81175475E-17 -2.68415580E-03 -4.76668407E-15 -1.41412888E-05 -2.68586943E-16 6.30888973E-15 -1.16289778E-03 -1.11642165E-14 5.14943591E-05 9.15236401E-15 7.77517873E-15 -1.36180343E-13 1.29301483E-15 9.77822601E-05 -2.22325689E-15 -6.69918690E-14 1.60346793E-03 1.02537103E-13 3.19293614E-14 1.76335042E-03 -2.16368811E-13 -3.04560037E-15 2.42659790E-15 -1.82872911E-03 1.34829472E-16 -2.88480560E-03 -1.54144401E-14 1.33322325E-16 -1.20932199E-03 6.60818439E-15 -1.61561505E-04 -3.62065361E-14 -1.76140221E-14 6.49496878E-13 2.96223180E-15 -6.64155724E-04 3.13309239E-15 -5.45438809E-14 7.57076231E-04 4.09990847E-14 -2.38463889E-13 4.27645061E-03 2.94888693E-13 1.46790866E-14 -8.54480729E-15 8.08920412E-04 9.96922543E-15 4.28286239E-01 2.51917298E-14 -1.68429949E-14 1.67146067E-04 1.72141669E-14 1.21916892E-01 Cartesian Gradient R N= 12 -4.22888503E-06 4.90413359E-13 7.27189449E-06 1.33120059E-05 1.75821583E-13 7.35340684E-06 4.22888794E-06 7.07717383E-13 -7.27189756E-06 -1.33120089E-05 -7.86326795E-13 -7.35340385E-06 Cartesian Force Constants R N= 78 5.54900232E-02 -4.27241459E-09 1.09756917E-03 1.35414293E-02 -3.67783299E-09 3.83748877E-02 -2.51986207E-03 -2.79386485E-09 6.86991154E-03 1.70505700E-02 -3.41913006E-09 -1.19467010E-03 -2.77633902E-08 3.86909278E-09 1.15305554E-03 -1.96990624E-03 3.63477220E-09 -2.68342957E-02 -1.64294586E-02 -3.28964072E-09 3.91032268E-02 -3.60102763E-02 7.10161073E-09 -2.78117569E-02 -1.69607882E-02 2.32994360E-08 1.62409040E-02 5.54908813E-02 -8.48416983E-09 1.29627085E-03 -1.50572035E-09 -6.99014483E-09 -1.19913839E-03 8.89250213E-09 9.87579399E-09 1.09754318E-03 -2.78110536E-02 -1.04920285E-09 3.25074219E-04 7.40126528E-03 3.35608346E-09 -1.18665151E-02 1.35403907E-02 -2.96581194E-09 3.83751610E-02 -1.69598848E-02 -3.59794714E-11 7.40041613E-03 2.43008029E-03 -2.37475448E-08 2.15846074E-03 -2.51981675E-03 5.59888201E-09 6.86939765E-03 1.70496213E-02 1.61720724E-08 -1.19916993E-03 3.29499368E-08 5.91398860E-09 1.24075295E-03 -9.23927712E-09 -4.02757696E-08 -1.19467564E-03 6.60254996E-10 1.81881416E-08 1.15309261E-03 1.62395306E-02 1.09201281E-09 -1.18656662E-02 2.15828177E-03 2.76986436E-08 -4.02415914E-04 -1.96953779E-03 -4.42256607E-09 -2.68337201E-02 -1.64282745E-02 -2.43707637E-08 3.91018022E-02 Dipole Moment R N= 3 -2.49940513E-10 -8.06571853E-13 4.87773377E-10 Dipole Derivatives R N= 36 3.21929867E-01 -2.02243072E-06 -6.88098625E-02 -2.53217098E-06 4.81160040E-02 5.82675542E-06 -6.77554191E-02 1.68367015E-05 4.09057273E-01 -3.21095413E-01 -5.85810303E-06 6.68643875E-02 -1.19794518E-05 -4.81152362E-02 2.25446396E-05 6.73350915E-02 6.39330736E-06 -4.08245378E-01 3.20961542E-01 -9.89219556E-06 -6.64036696E-02 -2.64841575E-06 4.81158063E-02 7.33665430E-06 -6.76457572E-02 -3.48367012E-06 4.08970415E-01 -3.21795980E-01 1.77717628E-05 6.83491029E-02 1.71597467E-05 -4.81165914E-02 -3.57086757E-05 6.80660763E-02 -1.97482726E-05 -4.09782298E-01 Polarizability R N= 6 1.91415362E+02 -6.30840809E-03 1.08537986E+02 -6.81656051E+01 1.07333295E-02 2.80735960E+02 Polarizability Derivatives R N= 72 -2.27725913E+01 -1.17377464E-09 -7.16311709E+00 -5.68735759E+00 -3.11279771E-09 -1.00867183E+01 6.49839188E-09 -8.05077808E+00 1.87935416E-10 1.06583725E-08 -4.32811250E+00 -1.49289174E-08 -7.91619456E+00 -4.40817746E-09 -3.86547215E+00 -5.85920192E+00 -1.21660548E-09 -9.89565817E+00 -2.35213915E+01 -2.00144476E-09 -3.52708609E+00 1.88867931E+01 2.11681193E-09 -6.18513202E+00 -5.52160764E-09 -1.06544289E+01 -1.87872994E-09 -1.34866789E-08 1.97810280E+01 2.49890152E-08 8.41377410E+00 7.46334729E-09 6.56267608E+00 -1.19263928E+01 -2.49705749E-09 4.69309147E+01 2.27725913E+01 1.49614353E-09 7.16311709E+00 5.68735759E+00 1.15059652E-09 1.00867183E+01 4.53437896E-09 8.05077808E+00 6.14772284E-10 -7.32113859E-09 4.32811250E+00 -2.37836254E-08 7.91619455E+00 4.52501889E-09 3.86547215E+00 5.85920192E+00 2.87481287E-09 9.89565816E+00 2.35213915E+01 1.51240228E-09 3.52708609E+00 -1.88867932E+01 -4.58073946E-10 6.18513202E+00 -5.17773646E-09 1.06544289E+01 1.06306042E-09 1.01788959E-08 -1.97810280E+01 1.36627995E-08 -8.41377409E+00 -7.62004022E-09 -6.56267609E+00 1.19263928E+01 1.00089029E-09 -4.69309147E+01 HyperPolarizability R N= 10 -2.77451126E-06 -6.15070864E-08 -3.45425950E-07 9.28095778E-07 1.92464917E-06 4.04884294E-07 -2.71138897E-06 -2.14465105E-06 -7.04238860E-07 3.88399089E-06 QEq coupling tensors R N= 24 9.03528014E-03 -1.09581687E-14 -3.50960468E-02 -1.13948198E-02 2.72266415E-14 2.60607666E-02 -3.01479560E-03 2.08167552E-14 -5.51087081E-03 -6.54701059E-03 -3.54091685E-14 8.52566641E-03 1.17021025E-02 -6.43480202E-15 -3.51173851E-02 -1.02934552E-02 1.79932715E-15 2.34152826E-02 -5.03399290E-04 -4.20937922E-15 -3.69362906E-03 -5.14829072E-03 -9.30431781E-15 4.19702835E-03 Mulliken Charges R N= 4 1.03150476E-01 -7.61726257E-02 1.24298397E-01 -1.51276248E-01 Optimization MaxStp I 2 Optimization Job offset I 0 Optimization Num results per geometry I 2 Optimization Num geometry variables I 12 Opt point 1 Results for each geome R N= 2 -5.83174813E+02 0.00000000E+00 Opt point 1 Geometries R N= 12 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.31446169E+00 4.44220001E+00 0.00000000E+00 2.38494399E+00 4.44220001E+00 0.00000000E+00 -2.92951770E+00 Opt point 1 Gradient at each geome R N= 12 -4.22888503E-06 4.90413359E-13 7.27189449E-06 1.33120059E-05 1.75821583E-13 7.35340684E-06 4.22888794E-06 7.07717383E-13 -7.27189756E-06 -1.33120089E-05 -7.86326795E-13 -7.35340385E-06 Optimization Number of geometries I N= 1 1