%nprocshared=24
%mem=120GB
#p opt freq=(NoRaman) ub3lyp/genecp scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3 Int=Grid=UltraFine

Cobalt n-allyl E

0 4
 Co                 1.02907500   -0.45348100   -0.84003700
 P                 -1.28426300   -0.37611900   -0.14066500
 P                  1.10010600    0.33558600   -3.12350200
 C                 -1.50168600    0.68017300    1.34453800
 C                 -2.09371700    0.22537400    2.53037700
 C                 -0.97489600    1.98331900    1.29346200
 C                 -2.15698700    1.06305600    3.64838400
 H                 -2.50383300   -0.77786800    2.58846200
 C                 -1.05465900    2.82058500    2.40516300
 C                 -1.64113500    2.35894200    3.58845400
 H                 -2.61485800    0.69996700    4.56445000
 H                 -0.65358600    3.82899100    2.35057200
 H                 -1.69473300    3.00787200    4.45819200
 C                  0.35429000    2.00463000   -3.15905100
 C                 -0.49663400    2.45497700   -4.17553600
 C                  0.65074800    2.84858600   -2.07416300
 C                 -1.05671800    3.73284300   -4.09909300
 H                 -0.73158800    1.81017100   -5.01654300
 C                  0.09802900    4.12671700   -2.00768300
 C                 -0.76296100    4.56719600   -3.01834700
 H                 -1.72538300    4.07347000   -4.88462900
 H                  0.33215300    4.77332100   -1.16651300
 H                 -1.20410100    5.55835700   -2.96171400
 C                 -2.43447100    0.34188700   -1.37856800
 C                 -3.33650800    1.37822400   -1.09943400
 C                 -2.37228000   -0.14976800   -2.69400100
 C                 -4.14089200    1.91649300   -2.10534800
 H                 -3.40250000    1.77478900   -0.09173300
 C                 -3.17354000    0.37549000   -3.70616400
 C                 -4.05559800    1.41456100   -3.40500600
 H                 -4.82912800    2.72340800   -1.87243300
 H                 -3.10565100   -0.01712700   -4.71461200
 H                 -4.67739900    1.82846700   -4.19367000
 C                 -2.02849100   -1.99699800    0.27715600
 C                 -1.17968900   -3.07001300    0.58662200
 C                 -3.41970000   -2.18637900    0.30279400
 C                 -1.71358800   -4.31422900    0.92879300
 H                 -0.10336600   -2.93537200    0.55307700
 C                 -3.94960200   -3.43144700    0.64296100
 H                 -4.08550600   -1.36458700    0.05491100
 C                 -3.09822600   -4.49533700    0.95801300
 H                 -1.04875300   -5.14005800    1.16667200
 H                 -5.02678800   -3.57230900    0.66027100
 H                 -3.51439500   -5.46393100    1.22110200
 C                  0.29847400   -0.66455700   -4.43477400
 C                 -0.90095000   -1.34474400   -4.15559200
 C                  0.89110800   -0.86058100   -5.69226400
 C                 -1.47776500   -2.21350100   -5.07793600
 C                  0.30933000   -1.71444100   -6.63072900
 H                  1.81918400   -0.35203700   -5.93327200
 C                 -0.86902900   -2.39690800   -6.32131100
 H                 -2.39412500   -2.73146300   -4.81311600
 H                  0.78390200   -1.85288300   -7.59760200
 H                 -1.31671100   -3.07294100   -7.04374500
 C                  2.82861100    0.56671100   -3.68269800
 C                  3.25393700    1.70194600   -4.38822000
 C                  3.76135000   -0.42596700   -3.33856700
 C                  4.59782000    1.83889600   -4.74444900
 H                  2.54288800    2.47802800   -4.65504700
 C                  5.10131100   -0.28729100   -3.70031500
 H                  3.43949800   -1.30036200   -2.77739400
 C                  5.52120800    0.84730600   -4.40147200
 H                  4.92214400    2.72122200   -5.28925300
 H                  5.81713200   -1.05684400   -3.42566900
 H                  6.56648100    0.96014500   -4.67546900
 C                  2.42960500   -1.67164300    0.10876500
 H                  3.39874500   -1.42518700   -0.32442900
 H                  2.13875800   -2.71617000   -0.00412700
 C                  1.99145400   -1.00136400    1.28722600
 H                  1.19790800   -1.50322600    1.83990000
 C                  2.38974100    0.22233400    1.83897800
 H                  1.31899100    2.50723200   -1.28559800
 H                 -0.51891700    2.34967000    0.37714000
 O                 -1.49393300   -1.20194700   -2.90695800
 C                  3.42853500    1.12655500    1.31906900
 C                  4.12475300    1.97312500    2.21642500
 C                  3.75242600    1.24916300   -0.05224400
 C                  5.08284200    2.87794600    1.76652300
 H                  3.93042200    1.88663500    3.27989000
 C                  4.70384700    2.16333300   -0.50322300
 H                  3.24853500    0.65367100   -0.80265400
 C                  5.37889700    2.98344000    0.40335800
 H                  5.60466300    3.50332500    2.48639700
 H                  4.91077000    2.23050800   -1.56825000
 H                  6.12341600    3.69372800    0.05460600
 C                  1.72203400    0.61308200    3.13944700
 H                  1.57697800    1.70103200    3.18006400
 H                  0.72902800    0.14873500    3.19786000
 O                  2.54537300    0.17394200    4.23472300

-C -H 0
6-31g(d)
****
-P -O 0
6-31g(d)
****
-Co 0
LANL2DZ
****

-Co 0
LANL2DZ

