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

Title Card Required

1 1
 C                 -1.17331400    0.93860900    0.06234900
 C                 -0.40249200   -0.27952700   -0.15820000
 H                 -3.14523800    1.80936500    0.34029800
 C                 -2.60799600    0.87314200    0.17634800
 C                 -1.11555300   -1.49637900   -0.23816700
 C                 -2.49479300   -1.50406600   -0.12281700
 C                 -3.25983400   -0.32327600    0.08237600
 H                 -0.59466200   -2.43965800   -0.37902700
 H                 -3.01341400   -2.46359400   -0.18930000
 H                 -4.34535300   -0.38562100    0.16746900
 N                  0.95776600   -0.23231400   -0.27514200
 C                  1.75101500   -1.45945600   -0.50314500
 H                  1.20204600   -2.09016500   -1.21232600
 H                  2.67327000   -1.13381800   -0.99599800
 C                  2.07446800   -2.19932600    0.78724900
 H                  1.16476200   -2.52360800    1.31472800
 H                  2.67113500   -3.09410400    0.55229100
 H                  2.66420600   -1.56345100    1.46424300
 C                  0.93125200    2.24166600    0.04538100
 H                  1.23013381    3.04260605   -1.06922511
 C                 -0.52322100    2.13880500    0.16384000
 H                 -1.09716800    3.05472600    0.33282100
 H                  1.34765200    2.82251000    0.88942700
 C                  1.70374200    0.95675400   -0.09845400
 O                  2.91265700    0.92964900   -0.08794400
 O                  1.55120782    3.90301649   -2.26659154
 C                  1.89767946    5.18426281   -1.78927715
 H                  1.07760448    5.67823789   -1.23071084
 H                  2.79299402    5.17511391   -1.13621926
 H                  2.13232944    5.81702810   -2.66080359
 H                  1.52450850    3.62829671   -3.18605670

B 26 20 B



