%chk=TS-Water.chk%nprocshared=12%mem=22GB#p opt=(ts,calcfc,noeigentest,maxcycles=1000) iop(1/8=1) freq=noraman b97d3/6-311g(d,p) scrf=(solvent=butylamine,smd) nosymmTS-Water0 1 C                 -3.03930500   -0.66325500    0.20739100 C                 -2.91247900    0.67017100   -0.55950900 H                 -3.77971700   -1.35823000   -0.22277800 H                 -3.22201200   -0.53808500    1.28864600 H                 -3.26132000    0.57881500   -1.61015800 O                 -1.47382600    0.90314800   -0.59584700 O                 -1.77410800   -1.33616400    0.03397500 C                 -0.65977500   -0.44173000    0.08858000 O                 -0.24037200   -0.00278700    1.15259000 C                 -3.54686700    1.84081900    0.15793700 H                 -3.43855900    2.77395400   -0.41177600 H                 -4.62094700    1.68212400    0.32598500 H                 -3.08651600    2.02330300    1.14023200 N                  0.22816700   -0.88260100   -1.02054800 H                 -0.19026900   -1.70308100   -1.50821600 H                  0.27137000    0.17516800   -2.08283500 C                  1.63330900   -1.20637300   -0.58104200 C                  2.44456100    0.08038300   -0.38548800 H                  2.09498300   -1.84864500   -1.36442500 H                  1.62600400   -1.80624500    0.35793300 C                  3.83528100   -0.23293500    0.18135200 H                  2.53827500    0.62947000   -1.34182500 H                  1.90016600    0.76170700    0.30412400 C                  4.66564900    1.03162200    0.36920900 H                  3.73685500   -0.76030800    1.15257800 H                  4.36998400   -0.93733300   -0.48655800 H                  5.65573800    0.80111200    0.78301500 H                  4.82719300    1.56580000   -0.57459300 H                  4.18902100    1.73667500    1.06227200 O                 -0.16951500    1.06355000   -2.63659200 H                  0.42543800    1.79707400   -2.39844700 H                 -1.11557700    1.14697600   -1.71985500