%mem=16GB
%chk=TS1-R1a-LH.chk
#p opt=(calcfc,ts,noeigentest) freq wb97xd/genecp scrf=(smd,solvent=thf)

Title Card Required

0 1
 Cu                -0.12245600    0.13787700   -0.19333000
 C                  1.34626900    0.68190100   -1.54784300
 H                  1.36355100    1.72935700   -1.84366600
 H                  1.55692600    0.00663300   -2.37937300
 C                  1.96031200    0.35698600   -0.27707900
 B                 -0.72088600    0.61374500   -2.12990100
 O                 -1.16811900    1.85681800   -2.56123200
 O                 -1.11510000   -0.36455800   -3.02969800
 C                 -2.16169300    1.64748800   -3.58480000
 C                 -1.72900000    0.26580100   -4.17348300
 C                 -2.62213900   -2.26433900   -0.71648700
 C                 -5.25094000   -2.33817400   -1.68775100
 C                 -2.99050600   -3.19548000   -1.68708600
 C                 -3.60622400   -1.39399100   -0.24920000
 C                 -4.92567600   -1.41157700   -0.69656100
 C                 -4.29326100   -3.22261900   -2.17683400
 H                 -2.25591500   -3.89266700   -2.07519000
 H                 -4.56579200   -3.94255800   -2.94183300
 H                 -6.26245200   -2.38520500   -2.07591100
 C                 -3.04772100    1.84758600    0.98130900
 C                 -5.75654600    2.08741700    0.28594900
 C                 -3.67889900    3.09596000    0.98652200
 C                 -3.83056800    0.73511200    0.66692700
 C                 -5.17584800    0.82134500    0.30249800
 C                 -5.01977500    3.21422400    0.64109300
 H                 -3.11325300    3.98582700    1.23953500
 H                 -5.49202200    4.19126800    0.63995400
 H                 -6.79709800    2.20283100    0.00327200
 O                 -3.21956500   -0.49138900    0.71253600
 C                 -5.91948900   -0.47581800   -0.01154400
 C                 -7.16131200   -0.22944200   -0.87166700
 H                 -7.68485900   -1.16838500   -1.06957500
 H                 -7.87114400    0.41760200   -0.34981000
 H                 -6.90370100    0.23497200   -1.82874100
 C                 -6.35090400   -1.12695400    1.32397400
 H                 -7.03665800   -0.46442400    1.86212800
 H                 -6.86061600   -2.07689800    1.13272600
 H                 -5.48907700   -1.32531700    1.96824500
 C                 -0.65200800    0.38167300   -5.25130200
 H                 -0.25687900   -0.61542000   -5.46766200
 H                 -1.05177900    0.80043600   -6.17969200
 H                  0.17829700    1.00965200   -4.91385100
 C                 -2.87483700   -0.61050600   -4.65577900
 H                 -2.48177200   -1.56291800   -5.02466800
 H                 -3.58005900   -0.82730400   -3.85067900
 H                 -3.41318200   -0.12395000   -5.47602000
 C                 -3.52149500    1.59990800   -2.88425000
 H                 -3.58498400    0.74246400   -2.20908400
 H                 -3.64909900    2.50877600   -2.28854600
 H                 -4.34452500    1.53727500   -3.60288100
 C                 -2.11368000    2.80877300   -4.56534900
 H                 -1.10597700    2.96348900   -4.95689700
 H                 -2.79300200    2.63151400   -5.40556900
 H                 -2.42931100    3.72855500   -4.06329300
 C                  4.17001100   -0.87098400   -0.81435300
 C                  4.79766200    0.24938500   -1.19916400
 C                  4.84248400   -2.19648900   -0.95356600
 H                  5.77419800    0.11572600   -1.67262600
 B                  4.39164900    1.74078600   -0.98274200
 C                  4.16445700   -3.31366600   -1.45584800
 C                  6.17332300   -2.35715200   -0.54653100
 O                  4.68047600    2.40008200    0.19072000
 O                  3.95045800    2.58946500   -1.96727400
 C                  4.80299000   -4.54476900   -1.56964300
 H                  3.13153500   -3.22214700   -1.77590400
 C                  6.81259300   -3.58875200   -0.65525900
 H                  6.70133000   -1.50780100   -0.12249900
 C                  4.21739700    3.76166800    0.06499700
 C                  4.11737600    3.94390000   -1.49440500
 C                  6.12965800   -4.68861300   -1.16968800
 H                  4.25765700   -5.39433600   -1.97053400
 H                  7.84310500   -3.69126300   -0.32758400
 C                  5.21968600    4.68039400    0.75001100
 C                  2.86969100    3.85211400    0.77476400
 C                  5.40634300    4.47105900   -2.12511000
 C                  2.92930900    4.77289500   -1.95976000
 H                  6.62532100   -5.65137900   -1.25192900
 H                  4.94296300    5.72900700    0.60128100
 H                  5.22368800    4.48091300    1.82573000
 H                  6.23315500    4.52898400    0.37298500
 H                  2.98252400    3.49552400    1.80297800
 H                  2.50647800    4.88225000    0.80704200
 H                  2.10977300    3.24035700    0.28499700
 H                  5.32276400    4.40225900   -3.21343100
 H                  5.58552100    5.51695100   -1.85971300
 H                  6.27266800    3.87896600   -1.81488300
 H                  2.97642000    5.78419900   -1.54288900
 H                  2.93981200    4.85331300   -3.05085800
 H                  1.98355500    4.31825400   -1.65991700
 H                  2.27158000    1.19722600    0.33507300
 C                  3.02170000   -1.27367000    1.32694400
 C                  3.57081900   -0.34424600    2.21842300
 C                  2.72474000   -2.55250700    1.79815500
 C                  3.77614600   -0.67684500    3.55397700
 H                  3.85198000    0.64258700    1.85787500
 C                  2.93476000   -2.89170800    3.13397300
 H                  2.31575600   -3.28875100    1.11167900
 C                  3.45209900   -1.95180300    4.02005700
 H                  4.19920200    0.05864100    4.23299100
 H                  2.68345600   -3.88983100    3.48130100
 H                  3.61317300   -2.21087100    5.06251000
 C                  2.79398200   -0.90007300   -0.13226200
 H                  2.23953100   -1.72755700   -0.58861900
 P                 -0.93130900   -2.06083000   -0.00889600
 H                 -0.81676215   -2.34284524    1.30634026
 H                 -0.46248968   -3.09850003   -0.73411966
 P                 -1.22550200    1.63569800    1.21630700
 H                 -1.08657979    2.97704816    1.15321687
 H                 -0.85670975    1.20217859    2.44046107

 -Cu
 lanl2dz
 F    1 1.00
 3.5250000           1.0
 ****
 -P
 lanl2dz
 D    1 1.00
 0.3870000           1.0
 ****
 -O C H B
 6-31g(d,p)
 ******

 -Cu 1
 lanl2dz
 -P
 lanl2dz






