Optimize actual IRC reverse endpoint                                    
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
Real atomic weights                        R   N=           9
  1.20000000E+01  1.20000000E+01  1.59949146E+01  1.00782504E+00  1.00782504E+00
  1.00782504E+00  1.00782504E+00  1.00782504E+00  1.00782504E+00
Current cartesian coordinates              R   N=          27
  2.40289085E+00 -6.71892467E-01 -6.65238559E-02  7.22015400E-02  1.02195950E+00
  6.86522009E-02 -2.23151566E+00 -3.50904578E-01 -1.50900687E-01 -2.31425068E+00
 -1.51214881E+00  1.26476698E+00  1.06174460E-01  2.15184491E+00  1.81891649E+00
  6.33603399E-02  2.35513975E+00 -1.51379367E+00  4.14321628E+00  4.50961497E-01
  7.97420194E-03  2.44856120E+00 -2.00453264E+00  1.52347813E+00  2.39960266E+00
 -1.76740590E+00 -1.82202481E+00
Total Energy                               R     -1.550342899992599E+02
Cartesian Gradient                         R   N=          27
  2.39062352E-08  7.49907105E-08 -1.35679885E-07 -1.01199288E-07 -2.56939119E-08
  1.24517855E-07 -1.81069968E-08 -1.81109551E-07  3.71397545E-07  1.52320424E-07
 -1.30866450E-07  2.64860045E-09  4.78365353E-08 -1.65858174E-07  2.01583349E-07
 -1.80620462E-07  1.22156269E-07  2.34850030E-07 -3.82982832E-08  1.23807821E-07
 -2.46292083E-07  1.88034853E-07 -3.33780108E-08 -2.70361038E-07 -7.38729580E-08
  2.15951303E-07 -2.82664359E-07
Cartesian Force Constants                  R   N=         378
  5.14870957E-01  4.87077815E-02  5.48491356E-01  6.07591979E-03  4.12560654E-03
  5.78524696E-01 -1.40784348E-01  6.49697855E-02  5.11153247E-03  4.49225184E-01
  5.58103815E-02 -1.36267813E-01 -4.22216931E-03 -1.33643286E-03  5.57885762E-01
  6.75124763E-03 -3.09187370E-03 -8.78979526E-02 -1.04540262E-03 -3.24016587E-02
  6.25834300E-01 -4.47525125E-02 -2.63151147E-02 -2.53260106E-03 -1.83312416E-01
 -5.46197846E-02 -3.63438418E-02  2.86195833E-01  8.21602584E-03  1.14319416E-02
  2.86799421E-03 -8.49974076E-02 -1.16902819E-01 -6.58203664E-03  1.33008511E-01
  3.27726755E-01 -8.60662705E-04  6.36070579E-04  4.50002980E-03 -1.29814579E-03
  1.69181755E-02 -9.15811708E-02  2.78660161E-02 -2.37634908E-01  3.79959136E-01
  1.43368224E-03 -7.88151887E-04  2.04427971E-03 -7.67697061E-03 -2.99626690E-02
  3.25857636E-02 -3.51529380E-02 -3.50899509E-03 -2.28066107E-02  4.60725613E-02
  9.12282320E-04  3.09275092E-03 -1.68035269E-03 -6.45467824E-04 -1.82965156E-02
  2.16035754E-02 -3.28655966E-02 -1.96480647E-01  2.19508695E-01  3.56027967E-02
  2.12961322E-01 -5.30578825E-04 -1.34314097E-03  5.10077328E-04 -7.02409855E-03
 -5.18908692E-03  4.52116257E-04  1.59277622E-02  2.46135981E-01 -3.06702525E-01
 -8.45776814E-03 -2.38027918E-01  3.02443130E-01  6.87898819E-04  1.56899769E-02
  2.44363528E-02 -5.01763022E-02  4.19423181E-03  8.22931506E-03 -1.36198402E-02
 -2.66546946E-02 -2.87744003E-02  1.09437639E-03  1.69049889E-03 -6.75246801E-04
  6.28124570E-02  3.25501597E-03 -9.88884979E-03 -1.89417597E-02  5.55990517E-03
 -1.18085595E-01 -1.00415105E-01 -1.45381265E-02 -1.32667310E-02 -1.54552566E-02
  4.27479036E-04  3.57815814E-04 -1.17109666E-03  2.27102959E-03  1.28759232E-01
 -3.66157431E-04  4.01526949E-04 -7.47715452E-04  5.96762986E-03 -1.02484891E-01
 -2.31102455E-01 -6.95964126E-03 -3.60510189E-03  5.42782283E-03 -7.30196930E-04
  3.42059814E-04  1.37715793E-03 -7.20670347E-04  1.18912106E-01  2.44087341E-01
 -2.15485314E-04  1.83331494E-02 -2.21563559E-02 -4.82613127E-02  9.98951798E-03
 -1.08477515E-02 -8.59594263E-03 -2.80362396E-02  2.63201065E-02 -5.38152372E-03
 -4.70699782E-03  3.89829063E-04  1.85125304E-03  2.42575272E-04  1.44064468E-03
  6.31690057E-02  2.51229137E-03 -1.23076253E-02  1.59947332E-02  4.55048044E-03
 -1.53060510E-01  1.22083837E-01 -8.69920918E-03 -1.63025903E-02  1.56276872E-02
 -3.38085979E-03 -1.52026323E-03 -4.98040597E-04  3.91914757E-04  1.27762930E-02
 -1.31370625E-02  1.97772338E-03  1.70747061E-01  8.62287809E-05 -2.53382288E-03
  2.81927260E-03 -3.44689335E-03  1.28595469E-01 -2.15165127E-01  2.70675614E-03
 -9.08524669E-04  5.40154034E-03 -9.03319046E-04 -1.99157031E-03  2.40190599E-03
 -1.24234119E-03  1.70973845E-02 -2.17333660E-02  3.44597398E-03 -1.39607416E-01
  2.23548268E-01 -2.32792277E-01 -1.18641445E-01 -7.31709493E-03 -1.76751819E-02
 -2.02144017E-02 -1.37185044E-03 -7.56233386E-03  3.94022663E-03  3.73986587E-04
  6.65369169E-04  6.08813246E-04 -5.37660229E-04  1.02810611E-03  5.79585823E-04
  8.08929244E-04  8.60845317E-04  2.23394979E-04 -6.99307923E-04  2.52843388E-01
 -1.20012186E-01 -1.28861227E-01 -5.74287536E-03  1.49710305E-02  1.38545092E-02
  8.35883824E-04  5.76292194E-03 -5.51508950E-04  1.87643953E-04  4.52412174E-04
 -5.54606010E-04 -1.30828831E-04 -1.12856798E-03  3.76454593E-04 -3.06237250E-04
 -9.29610666E-04  6.06714366E-04  3.25777769E-04  1.31636070E-01  1.35789306E-01
 -7.32899396E-03 -5.54651906E-03 -4.92536931E-02  1.41095597E-03  1.30020491E-03
 -2.11502887E-03  1.10118308E-04 -2.40858365E-04  1.67941427E-03 -6.89755949E-04
 -7.14536093E-05  1.33384481E-04 -2.69608878E-04  4.62947680E-05 -9.87997522E-05
  5.33819875E-05 -1.11927611E-04  5.61017543E-05  8.70524049E-03  5.55399427E-03
  4.76597061E-02 -4.93752547E-02  1.34273487E-03 -2.58918737E-03 -1.13135308E-03
  1.94993236E-02 -2.37899135E-02  3.49422853E-03 -3.50383242E-04  2.79188498E-04
 -8.45380701E-04 -6.73231758E-04  6.37435980E-04  9.87148270E-04 -1.34084853E-03
  3.10448124E-04 -4.47530811E-03  3.43623955E-03  4.71823099E-04  1.46793081E-03
 -1.72830453E-02  2.29530746E-02  5.08354117E-02  1.98565128E-03 -1.53281707E-01
  1.25119382E-01 -1.60944222E-03 -1.57004262E-02  1.77059116E-02 -7.33863738E-04
  2.11228580E-03 -1.77226978E-03  1.02303811E-03  5.21764702E-04  1.40154769E-04
 -6.04031108E-04  5.45313931E-04 -3.44004793E-04  3.93370863E-03 -1.33842916E-03
 -1.05048947E-03  8.88820966E-04 -1.14252273E-02  1.35800856E-02 -4.84552128E-03
  1.65769477E-01 -1.70437199E-03  1.25540560E-01 -2.03980928E-01  7.39843803E-04
 -1.66247815E-03  2.20480177E-03 -1.28968257E-03 -1.52762933E-03  6.28312274E-04
 -1.00412421E-03  6.11834326E-04 -2.21734924E-04 -8.30843562E-04  9.89899067E-05
  1.03892433E-03  8.28419562E-04 -3.30293835E-04  1.66209795E-03  5.66750967E-04
 -1.82066500E-03  1.26131702E-03  2.24519613E-03 -1.39879130E-01  2.18025018E-01
 -4.90726603E-02 -3.29871602E-03 -3.07284547E-03 -2.07300786E-04  1.66398332E-02
  2.58324335E-02  3.30592138E-03 -1.61704292E-03 -1.09947823E-03 -2.09176021E-04
  7.69028440E-05  2.70325305E-04 -4.66509731E-03  3.54338418E-03  2.49014051E-04
  1.04846837E-03 -1.01197550E-03 -4.18920497E-04  1.16415407E-03 -1.34690252E-02
 -2.49444126E-02 -9.57422722E-04 -3.83606355E-05  4.48811872E-04  4.95931133E-02
 -1.38724415E-03 -1.22408826E-01 -1.17520559E-01 -1.46245103E-03 -1.34265920E-02
 -1.97385342E-02 -9.99737304E-04  2.23331425E-03  1.98416137E-03  1.34949767E-04
 -8.16220607E-05  8.39768681E-05  4.14964177E-03 -1.57393348E-03  2.21605613E-04
 -8.03826519E-04  3.99350349E-04  7.31917081E-05  9.78935238E-04 -9.23441462E-03
 -1.45098209E-02  2.14732102E-04  1.27969489E-02  1.89688114E-02 -8.24999875E-04
  1.31295775E-01 -2.12263129E-03 -1.18188408E-01 -2.44473787E-01 -4.15421800E-04
 -8.53565207E-04 -6.29483707E-04  5.15113887E-04  1.49508368E-03  6.87439859E-04
 -3.82683021E-05 -2.94869994E-04 -3.93511743E-04 -1.52556806E-04 -1.71557219E-04
  1.75109024E-03  5.25751617E-04 -2.15169226E-05  1.00930690E-03 -5.28993758E-04
  1.09730663E-03  6.77598042E-04 -5.18065616E-04 -1.34996406E-02 -2.06178087E-02
  2.73507206E-03  1.30437167E-01  2.61989156E-01
