%nprocshared=12
%mem=20GB
#p opt freq=(NoRaman) b3lyp genecp scf=xqc scrf=(smd,solvent=tetrahydrofuran) nosymm guess=always empiricaldispersion=gd3 integral=(grid=UltraFine)

LCuFIP2

0 2
 29	 0.389207000	 6.991565000	 7.380372000
 7	 1.251207000	 5.770066000	 6.010897000
 6	 1.722040000	 6.295450000	 4.708846000
 1	 2.441871000	 7.092790000	 4.884179000
 8	 1.908226000	 3.957433000	 4.901483000
 9	-0.293702000	 10.041156000	 10.089390000
 9	-2.408610000	 9.631260000	 9.929868000
 8	-0.619471000	 3.169014000	 8.831531000
 7	-0.241444000	 5.303991000	 8.331030000
 6	 2.399736000	 5.055468000	 4.096264000
 1	 2.121222000	 4.860966000	 3.061330000
 1	 3.486643000	 5.074447000	 4.197996000
 6	 1.333609000	 4.492439000	 5.977741000
 8	-0.940225000	 7.998275000	 8.265487000
 9	-1.580538000	 11.413937000	 9.022236000
 8	 1.456105000	 8.490527000	 6.824900000
 9	-3.379718000	 9.236750000	 7.381644000
 6	 0.884266000	 3.482707000	 7.003914000
 9	-2.196274000	 10.805029000	 6.469939000
 6	-0.028419000	 4.074228000	 8.050113000
 6	-1.498648000	 3.900115000	 9.721593000
 1	-1.379803000	 3.486499000	 10.722140000
 1	-2.520486000	 3.748032000	 9.367716000
 9	-1.921367000	 8.747136000	 5.864132000
 9	 2.903722000	 10.803893000	 6.622373000
 6	-1.029464000	 5.359538000	 9.583006000
 1	-1.860763000	 6.047605000	 9.433387000
 9	 3.426189000	 9.373353000	 5.085455000
 9	 4.776278000	 9.724561000	 6.736503000
 9	 4.248116000	 8.535951000	 9.062588000
 9	 2.318825000	 7.589837000	 9.296367000
 9	 2.457289000	 9.748613000	 9.177238000
 6	 0.553892000	 6.847721000	 3.918476000
 6	 0.466065000	 8.215610000	 3.666360000
 1	 1.229514000	 8.878388000	 4.058994000
 6	-0.606905000	 8.728238000	 2.940967000
 1	-0.667540000	 9.795725000	 2.752240000
 6	-1.603792000	 7.877951000	 2.472202000
 1	-2.442010000	 8.278315000	 1.909894000
 6	-1.527668000	 6.509798000	 2.731884000
 1	-2.304517000	 5.841910000	 2.372040000
 6	-0.453324000	 5.997967000	 3.451594000
 1	-0.400944000	 4.928469000	 3.645890000
 6	 0.163998000	 2.321033000	 6.287395000
 1	-0.140664000	 1.572915000	 7.020753000
 1	 0.838360000	 1.855250000	 5.567373000
 1	-0.725304000	 2.676936000	 5.758674000
 6	 2.147233000	 2.964070000	 7.739573000
 1	 1.860516000	 2.198274000	 8.464221000
 1	 2.654343000	 3.779924000	 8.263443000
 1	 2.835984000	 2.522635000	 7.015284000
 6	-0.154165000	 5.853563000	 10.716551000
 6	 0.929154000	 5.091368000	 11.163591000
 1	 1.138845000	 4.122134000	 10.715372000
 6	 1.749305000	 5.563137000	 12.182742000
 1	 2.588530000	 4.963512000	 12.522627000
 6	 1.493828000	 6.804800000	 12.764247000
 1	 2.136187000	 7.176052000	 13.557284000
 6	 0.415585000	 7.566259000	 12.322913000
 1	 0.215764000	 8.538543000	 12.762743000
 6	-0.404833000	 7.091221000	 11.302745000
 1	-1.228220000	 7.693482000	 10.938283000
 6	-1.055414000	 9.325330000	 7.975948000
 1	-0.133306000	 9.755147000	 7.553031000
 6	-2.151208000	 9.538883000	 6.923921000
 6	-1.344529000	 10.109606000	 9.258557000
 6	 2.769161000	 8.482816000	 7.168008000
 1	 3.318765000	 7.558627000	 6.894312000
 6	 3.477296000	 9.615084000	 6.412025000
 6	 2.959795000	 8.610675000	 8.688982000

-C -N -O -H -S -F 0
6-31g(d)
****
-Cu 0
LANL2DZ
****

-Cu 0
LANL2DZ


