%nprocshared=20
%mem=41GB
%chk=cldeprotmeoh
#p opt=(modredundant,calcfc,maxstep=3) b3lyp gen scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq CLOSE

1 1
 C                  0.89070721    1.43732737   -0.74005690
 C                  1.96557104    0.71147314   -0.20873638
 C                  3.11905261    1.37219783    0.23403048
 C                  2.09535174    3.48665451   -0.38562497
 H                  3.95995840    0.81772868    0.63951646
 H                  2.15510791    4.56916679   -0.45056686
 C                  1.65425520   -0.72212229   -0.22575160
 C                 -0.25615576    0.54662721   -1.14341917
 H                 -0.53134614    0.63798432   -2.19741026
 H                 -1.14772839    0.79153211   -0.57318464
 C                  0.27155196   -0.91359250   -0.84312537
 H                  0.35648662   -1.45310946   -1.79223886
 C                 -0.72195607   -1.64790622    0.00353409
 C                 -0.69891998   -1.59731518    1.40292992
 H                  0.23272300   -1.29332144    1.87615151
 H                 -1.51621121   -0.54863719    1.56576211
 H                 -1.27551421   -2.36173762    1.92562101
 C                  3.17399306    2.76195478    0.14248822
 H                  4.06144843    3.28764666    0.48182847
 C                  0.94615922    2.82735415   -0.83097149
 H                  0.11323941    3.38916045   -1.24498976
 C                  2.45005775   -1.71377768    0.18926378
 H                  3.43911396   -1.57191677    0.60584227
 Cl                 1.97128329   -3.39515185    0.10414976
 C                 -1.81719112   -2.34570607   -0.71386810
 H                 -1.37708712   -3.27273305   -1.11383116
 H                 -2.65287375   -2.60916149   -0.06373514
 H                 -2.16503254   -1.76937230   -1.57948657
 O                 -2.47548266    0.68205458    1.75484150
 H                 -2.99950387    0.77078222    0.90886301
 C                 -1.74698872    1.90031434    2.01488406
 H                 -2.44085810    2.67207403    2.36982223
 H                 -1.01728549    1.67931532    2.79675409
 H                 -1.22995102    2.26028514    1.11926250
 O                 -3.69910932    0.96206012   -0.63272536
 H                 -3.97325638    1.88569304   -0.74628986
 C                 -4.80387795    0.08447115   -0.93394184
 H                 -5.15018090   -0.40424273   -0.01814867
 H                 -5.63205897    0.63566845   -1.38664292
 H                 -4.45393075   -0.67586859   -1.64018233

14 16 F
16 29 F

C H Cl O 0
6-31G*
****

--link1--
%nprocshared=20
%mem=41GB
%chk=cldeprotmeoh
#p opt=(ts,noeigentest,calcfc,modredundant,maxstep=9) freq=noraman geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) B3LYP gen EmpiricalDispersion=GD3 nosymm scf(xqc,maxcyc=512) gfinput gfprint

opt freq

1 1

14 16 A
16 29 A

C H Cl O 0
6-31G*
****


