%chk=ts_reac_b_deprotonated_water_def2svp.chk
%mem=120GB
%nprocshared=24
#p opt=(calcall,ts,modredundant,noeigentest) b3lyp
scrf=(smd,solvent=dichloroethane) pop=full def2svp
empiricaldispersion=gd3bj gfinput iop(6/7=3) scf=(save,xqc)

Title Card Required

1 1
 C                 -0.97910500   -0.97571700   -0.44595900
 C                 -0.68833400    0.32135600    0.09633800
 H                 -2.49537400   -2.44699600   -0.90673300
 C                 -2.31680600   -1.45371200   -0.48625200
 C                 -1.77093600    1.09551300    0.57112600
 C                 -3.06500900    0.59594700    0.51722500
 C                 -3.35430600   -0.68158000   -0.00915000
 H                 -1.61160700    2.09274800    0.97602400
 H                 -3.88148100    1.21984000    0.89244000
 H                 -4.38429300   -1.04427100   -0.03927400
 N                  0.61496600    0.78141300    0.13202400
 C                  0.93113600    2.13153000    0.63246200
 H                  0.31398700    2.32252500    1.52086300
 H                  1.97966500    2.09671400    0.95370500
 C                  0.74579500    3.21238600   -0.42737400
 H                 -0.29720500    3.25957700   -0.78559900
 H                  1.00840200    4.19653800   -0.00133800
 H                  1.40489700    3.02422800   -1.29199600
 C                  1.40376000   -1.31403600   -0.84692100
 C                  0.08210200   -1.74734000   -0.95532600
 H                 -0.13697800   -2.72319700   -1.40126300
 H                  2.18627000   -1.79137600   -1.45072500
 C                  1.69717100    0.06919000   -0.42100800
 O                  2.81019100    0.56298700   -0.48553000
 O                  2.08108300   -2.61212600    1.38299600
 H                  1.60766300   -2.28200500    2.18437500
 H                  3.05086000   -2.49864600    1.53303700
 H                  1.70743500   -2.02367500    0.36161900

B 19 28 B

