Optimize actual IRC forward 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
  2.40289133E+00 -6.71891852E-01  6.65236926E-02  7.22015765E-02  1.02195954E+00
 -6.86520018E-02 -2.23151525E+00 -3.50905142E-01  1.50901045E-01 -2.31425013E+00
 -1.51214931E+00 -1.26476669E+00  6.33602097E-02  2.35513968E+00  1.51379396E+00
  1.06174021E-01  2.15184507E+00 -1.81891622E+00  4.14321647E+00  4.50962557E-01
 -7.97447913E-03  2.39960361E+00 -1.76740541E+00  1.82202457E+00  2.44856184E+00
 -2.00453191E+00 -1.52347839E+00
Total Energy                               R     -1.550342899992601E+02
Cartesian Gradient                         R   N=          27
  2.39046551E-08  7.49898463E-08  1.35678210E-07 -1.01197721E-07 -2.56926458E-08
 -1.24518259E-07 -1.81056876E-08 -1.81107863E-07 -3.71394482E-07  1.52321223E-07
 -1.30867518E-07 -2.65029376E-09 -1.80621367E-07  1.22155415E-07 -2.34850343E-07
  4.78360411E-08 -1.65858284E-07 -2.01583716E-07 -3.82983121E-08  1.23808050E-07
  2.46292171E-07 -7.38724300E-08  2.15951356E-07  2.82664393E-07  1.88033568E-07
 -3.33783465E-08  2.70362321E-07
Cartesian Force Constants                  R   N=         378
  5.14870931E-01  4.87077730E-02  5.48491381E-01 -6.07590869E-03 -4.12561541E-03
  5.78524697E-01 -1.40784379E-01  6.49697850E-02 -5.11152362E-03  4.49225185E-01
  5.58103813E-02 -1.36267783E-01  4.22215892E-03 -1.33645692E-03  5.57885757E-01
 -6.75123909E-03  3.09186191E-03 -8.78979508E-02  1.04541342E-03  3.24016546E-02
  6.25834304E-01 -4.47525075E-02 -2.63151292E-02  2.53260537E-03 -1.83312376E-01
 -5.46198056E-02  3.63438464E-02  2.86195760E-01  8.21601125E-03  1.14319372E-02
 -2.86799400E-03 -8.49974238E-02 -1.16902854E-01  6.58205334E-03  1.33008528E-01
  3.27726791E-01  8.60668716E-04 -6.36067067E-04  4.50002921E-03  1.29815438E-03
 -1.69181710E-02 -9.15811756E-02 -2.78660574E-02  2.37634883E-01  3.79959174E-01
  1.43368204E-03 -7.88152006E-04 -2.04428028E-03 -7.67696562E-03 -2.99626636E-02
 -3.25857592E-02 -3.51529281E-02 -3.50898237E-03  2.28066367E-02  4.60725451E-02
  9.12282045E-04  3.09275075E-03  1.68035225E-03 -6.45467929E-04 -1.82965223E-02
 -2.16035849E-02 -3.28655784E-02 -1.96480625E-01 -2.19508679E-01  3.56027796E-02
  2.12961309E-01  5.30578447E-04  1.34314136E-03  5.10077687E-04  7.02409807E-03
  5.18909070E-03  4.52117942E-04 -1.59277314E-02 -2.46135977E-01 -3.06702556E-01
  8.45773796E-03  2.38027911E-01  3.02443159E-01 -2.15488214E-04  1.83331513E-02
  2.21563615E-02 -4.82613148E-02  9.98952990E-03  1.08477650E-02 -8.59593647E-03
 -2.80362358E-02 -2.63201029E-02 -5.38152162E-03 -4.70699856E-03 -3.89828657E-04
  6.31690039E-02  2.51229271E-03 -1.23076191E-02 -1.59947289E-02  4.55049356E-03
 -1.53060490E-01 -1.22083831E-01 -8.69920874E-03 -1.63025987E-02 -1.56276944E-02
 -3.38086077E-03 -1.52026544E-03  4.98040606E-04  1.97771144E-03  1.70747043E-01
 -8.62289292E-05  2.53381989E-03  2.81926933E-03  3.44690819E-03 -1.28595465E-01
 -2.15165145E-01 -2.70675543E-03  9.08525580E-04  5.40154250E-03  9.03319161E-04
  1.99157079E-03  2.40190610E-03 -3.44599188E-03  1.39607411E-01  2.23548287E-01
  6.87891433E-04  1.56899811E-02 -2.44363567E-02 -5.01763062E-02  4.19426061E-03
 -8.22935973E-03 -1.36198259E-02 -2.66546962E-02  2.87743967E-02  1.09437601E-03
  1.69049900E-03  6.75246646E-04  1.85125286E-03  3.91913324E-04  1.24234300E-03
  6.28124561E-02  3.25502066E-03 -9.88884618E-03  1.89417525E-02  5.55993356E-03
 -1.18085606E-01  1.00415109E-01 -1.45381254E-02 -1.32667427E-02  1.54552642E-02
  4.27479301E-04  3.57816307E-04  1.17109671E-03  2.42570758E-04  1.27762934E-02
 -1.70973820E-02  2.27100004E-03  1.28759249E-01  3.66157594E-04 -4.01529158E-04
 -7.47711636E-04 -5.96767494E-03  1.02484897E-01 -2.31102440E-01  6.95964144E-03
  3.60510530E-03  5.42782022E-03  7.30197076E-04 -3.42059875E-04  1.37715783E-03
 -1.44065054E-03  1.31370644E-02 -2.17333663E-02  7.20720141E-04 -1.18912113E-01
  2.44087325E-01 -2.32792215E-01 -1.18641472E-01  7.31710549E-03 -1.76751805E-02
 -2.02144099E-02  1.37185101E-03 -7.56233637E-03  3.94022491E-03 -3.73985284E-04
  6.65369031E-04  6.08813526E-04  5.37660178E-04  8.60845568E-04  2.23395009E-04
  6.99307933E-04  1.02810618E-03  5.79586041E-04 -8.08929407E-04  2.52843319E-01
 -1.20012212E-01 -1.28861288E-01  5.74288493E-03  1.49710225E-02  1.38545081E-02
 -8.35884046E-04  5.76292015E-03 -5.51506498E-04 -1.87644815E-04  4.52412451E-04
 -5.54605754E-04  1.30828872E-04 -9.29610636E-04  6.06714203E-04 -3.25777456E-04
 -1.12856779E-03  3.76454435E-04  3.06237199E-04  1.31636100E-01  1.35789373E-01
  7.32900448E-03  5.54652849E-03 -4.92536939E-02 -1.41095297E-03 -1.30020206E-03
 -2.11502900E-03 -1.10116994E-04  2.40857766E-04  1.67941432E-03  6.89755903E-04
  7.14536726E-05  1.33384363E-04 -5.33821654E-05  1.11927610E-04  5.61016717E-05
  2.69608685E-04 -4.62947255E-05 -9.87996780E-05 -8.70525258E-03 -5.55400488E-03
  4.76597072E-02 -4.90726586E-02 -3.29868494E-03  3.07279445E-03 -2.07307364E-04
  1.66398383E-02 -2.58324374E-02  3.30592210E-03 -1.61704288E-03  1.09947834E-03
 -2.09176095E-04  7.69028592E-05 -2.70325293E-04  1.04846882E-03 -1.01197536E-03
  4.18920444E-04 -4.66509927E-03  3.54338343E-03 -2.49013071E-04  1.16415998E-03
 -1.34690244E-02  2.49444080E-02  4.95931131E-02 -1.38721308E-03 -1.22408843E-01
  1.17520568E-01 -1.46244559E-03 -1.34265895E-02  1.97385270E-02 -9.99737213E-04
  2.23331382E-03 -1.98416088E-03  1.34949724E-04 -8.16220219E-05 -8.39769302E-05
 -8.03826324E-04  3.99349891E-04 -7.31915548E-05  4.14964095E-03 -1.57393153E-03
 -2.21606341E-04  9.78939397E-04 -9.23441866E-03  1.45098264E-02 -8.25034413E-04
  1.31295791E-01  2.12258023E-03  1.18188417E-01 -2.44473772E-01  4.15421445E-04
  8.53562674E-04 -6.29479619E-04 -5.15113857E-04 -1.49508353E-03  6.87439561E-04
  3.82682188E-05  2.94870015E-04 -3.93511701E-04 -5.25751679E-04  2.15168592E-05
  1.00930691E-03  1.52557726E-04  1.71556658E-04  1.75109025E-03  5.28994048E-04
 -1.09730569E-03  6.77596176E-04 -2.73501622E-03 -1.30437176E-01  2.61989140E-01
 -4.93752550E-02  1.34274741E-03  2.58920244E-03 -1.13135512E-03  1.94993260E-02
  2.37899196E-02  3.49422891E-03 -3.50382707E-04 -2.79189271E-04 -8.45380758E-04
 -6.73232126E-04 -6.37435924E-04 -4.47531011E-03  3.43623882E-03 -4.71822477E-04
  9.87148817E-04 -1.34084841E-03 -3.10448297E-04  1.46793243E-03 -1.72830404E-02
 -2.29530724E-02 -9.57422768E-04  2.14726539E-04  5.18060088E-04  5.08354136E-02
  1.98566395E-03 -1.53281690E-01 -1.25119378E-01 -1.60944039E-03 -1.57004206E-02
 -1.77059066E-02 -7.33863276E-04  2.11228530E-03  1.77226988E-03  1.02303767E-03
  5.21764840E-04 -1.40154990E-04  3.93370800E-03 -1.33842739E-03  1.05048873E-03
 -6.04031013E-04  5.45313402E-04  3.44004746E-04  8.88822803E-04 -1.14252307E-02
 -1.35800923E-02 -3.83626338E-05  1.27969493E-02  1.34996429E-02 -4.84553512E-03
  1.65769456E-01  1.70438724E-03 -1.25540557E-01 -2.03980945E-01 -7.39843967E-04
  1.66247468E-03  2.20479823E-03  1.28968182E-03  1.52762979E-03  6.28312377E-04
  1.00412450E-03 -6.11833953E-04 -2.21735015E-04 -8.28418725E-04  3.30293058E-04
  1.66209818E-03  8.30843553E-04 -9.89895801E-05  1.03892429E-03 -5.66751390E-04
  1.82066589E-03  1.26131879E-03 -4.48809198E-04 -1.89688094E-02 -2.06178091E-02
 -2.24521383E-03  1.39879126E-01  2.18025037E-01
