%mem=42GB
%nprocshared=24
#p opt=(ts,calcfc,noeigen,nomicro) nosymm freq=noraman scrf=(solvent=n,n-DiMethylFormamide,smd) b97d/gen pseudo=read

opt

0 1
 C                 -3.70539700    2.80426400    1.51996000
 C                 -4.21952900    2.96445800    0.22322600
 C                 -3.55452000    2.41393100   -0.89685600
 C                 -2.35873900    1.69821400   -0.68065100
 C                 -1.83637100    1.54402400    0.61627200
 C                 -2.50657900    2.09382700    1.72381400
 H                 -4.24116100    3.23013900    2.37140700
 H                 -5.14647800    3.52156800    0.07256700
 H                 -1.83819500    1.27114300   -1.53712800
 H                 -0.91193100    0.98062500    0.76208300
 H                 -2.10841200    1.96300500    2.73164900
 C                 -4.13736600    2.60022400   -2.28844300
 Si                -5.73727700    1.55832600   -2.62149100
 C                 -6.43234500    2.04224600   -4.31869600
 H                 -5.67762300    1.91672200   -5.11267900
 H                 -6.76407300    3.09549800   -4.32580200
 C                 -7.04326100    1.88666000   -1.27531300
 H                 -7.98230500    1.35679900   -1.51138800
 H                 -7.27818700    2.96432800   -1.21739700
 H                 -7.30396800    1.41216000   -4.57359100
 H                 -6.72530300    1.56477000   -0.27179800
 C                 -5.30787400   -0.28927500   -2.54270400
 C                 -6.31278200   -1.22200200   -2.17960200
 C                 -3.97390800   -0.75960400   -2.62733600
 C                 -5.99580100   -2.55580600   -1.86820800
 H                 -7.35018900   -0.89316000   -2.08241900
 C                 -3.65048000   -2.09094700   -2.31139700
 H                 -3.18104000   -0.06261300   -2.89686000
 C                 -4.65833400   -2.98863900   -1.91658400
 H                 -6.78474400   -3.24547600   -1.55903400
 H                 -2.60962300   -2.42019900   -2.34727200
 H                 -4.40300300   -4.01372900   -1.64088500
 Cs                -4.66097700   -0.51059500    0.77436800
 C                 -8.06696300   -0.01034900    1.96050000
 O                 -8.76876600   -0.66099900    1.16925900
 H                 -8.08368000    1.09793100    1.99106600
 N                 -7.19418700   -0.54315600    2.85989200
 C                 -6.45513000    0.29424800    3.80569600
 H                 -6.78419100    0.08778300    4.83787000
 H                 -6.62601600    1.35424200    3.57211900
 C                 -6.99325600   -1.99168500    2.95273700
 H                 -7.22634600   -2.45212300    1.98353200
 H                 -7.63608200   -2.43166000    3.73400300
 H                 -5.94149900   -2.18550300    3.20555500
 H                 -5.37599400    0.08007200    3.73730000
 O                 -3.21799000    2.27767100   -3.32967000
 H                 -4.46985600    3.65883200   -2.35406000
 Si                -2.31141400    3.52848000   -4.19367000
 C                 -1.47238100    4.45820500   -2.75297200
 H                 -1.22783900    5.49715400   -3.02357300
 H                 -2.12441500    4.47465500   -1.86225000
 H                 -0.53205800    3.95662600   -2.45840600
 C                 -1.27974700    2.31457200   -5.24118100
 H                 -0.19990500    2.45081200   -5.06040100
 H                 -1.54170800    1.26982100   -4.99499700
 H                 -1.45186200    2.46955700   -6.31972600
 C                 -3.72470400    4.49986700   -5.03550500
 H                 -3.52849400    5.58442700   -5.04882700
 H                 -3.84775900    4.17476500   -6.08464300
 H                 -4.68687000    4.32971500   -4.52271100
 F                 -0.94244400    5.09891000   -5.53905800
 C                 -2.97031100   -2.27041400    3.38881900
 O                 -2.18057500   -1.38592500    3.75886100
 N                 -2.93796000   -2.91604300    2.19111800
 H                 -3.81190200   -2.60954600    4.02528500
 C                 -1.91294100   -2.62660900    1.18530100
 H                 -1.45333900   -1.65415200    1.40310500
 H                 -1.13826300   -3.41185000    1.18570800
 H                 -2.38407400   -2.59488700    0.19116200
 C                 -3.91385600   -3.95224600    1.85320100
 H                 -3.40138800   -4.91439400    1.68653300
 H                 -4.63774000   -4.06204400    2.67194000
 H                 -4.44813700   -3.67733800    0.92940800

C N F H O Si 0
6-31+g(d)
****
Cs 0
LANL2DZ
****

Cs 0
LANL2DZ








