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

LCu1R1R2_lli_horiz

0 1
 C                  4.46997600   12.13288100    5.79977400
 H                  5.39836500   11.65740800    6.12231200
 N                  4.13092100   11.62331600    4.43951000
 O                  4.17784100   13.86007700    4.20556600
 Cu                 3.48823400    9.59859900    4.11326700
 C                  4.68678200   13.64456600    5.55380100
 H                  4.13448800   14.29636000    6.23172700
 H                  5.74434700   13.92152400    5.55545200
 N                  3.02570800   10.19414900    2.19830300
 O                  2.88754300   11.40546400    0.31215300
 C                  3.95815300   12.63523300    3.67524700
 C                  3.54667400   12.68150700    2.21839500
 C                  3.15835200   11.33764200    1.63249900
 C                  2.61099300   10.04859900   -0.13552600
 H                  3.43067500    9.74206500   -0.79112900
 H                  1.67270500   10.05845000   -0.69188500
 C                  2.55177500    9.22692800    1.17947300
 H                  1.51641400    8.97264300    1.43015500
 C                  3.77656700    8.13847600    5.28490100
 C                  4.13969238    7.05710356    5.75026595
 C                  4.64433226    5.74104586    6.07192173
 C                  5.42365399    5.74954337    7.38228633
 C                  3.61908551    4.56699626    5.96739554
 O                  2.98942663    4.45830277    4.70831970
 H                  2.87446386    4.65627233    6.77090359
 H                  4.18121082    3.64284444    6.13305229
 C                  5.63406174    4.56958120    8.11548979
 C                  6.80773875    5.80851779    9.83455740
 C                  6.32468493    4.59963972    9.32780201
 C                  5.90448633    6.95988335    7.90509118
 C                  6.59223454    6.98790510    9.11866880
 H                  5.73898022    7.88025148    7.35523505
 H                  5.24916840    3.62262751    7.75738270
 H                  6.48068748    3.67504319    9.87739931
 H                  7.34580174    5.83017334   10.77878310
 H                  6.96095123    7.93612449    9.49865782
 C                  3.35983800   11.75948700    6.76313100
 C                  3.52977000   10.67614400    7.63182000
 C                  2.12359900   12.41984800    6.72498700
 C                  2.48211600   10.25672800    8.45563200
 H                  4.47295500   10.13768400    7.63837200
 C                  1.07926900   12.01056800    7.55527500
 H                  1.96984700   13.24948900    6.03824000
 C                  1.25732800   10.92673700    8.42229100
 H                  2.62189800    9.39220300    9.09738600
 H                  0.12621800   12.53228000    7.52199400
 H                  0.44075800   10.60311600    9.06257300
 C                  3.36807300    7.95196000    1.11662200
 C                  2.73011080    6.72238420    1.32325874
 C                  4.73081630    7.96818248    0.79425348
 C                  3.43894679    5.52572672    1.19732410
 H                  1.67435537    6.70213401    1.58456806
 C                  5.44455438    6.77325450    0.68231443
 H                  5.23910458    8.91670263    0.65338936
 C                  4.79812443    5.54883417    0.87311765
 H                  2.93159333    4.57803751    1.35756628
 H                  6.50662944    6.80323807    0.45777769
 H                  5.35114607    4.61861721    0.77457560
 H                  3.69111699    4.54843548    4.03647135
 C                  2.31815800   13.62347300    2.08266400
 H                  1.47585300   13.24919100    2.67440000
 H                  2.57691900   14.62501900    2.43296900
 H                  2.01294200   13.68375900    1.03529500
 C                  4.74324900   13.24825300    1.40634300
 H                  5.60509400   12.57410600    1.46183300
 H                  4.46110000   13.36991700    0.35826800
 H                  5.03309600   14.22148900    1.80972500
 S                  6.03323958    5.38987256    4.75632623
 O                  5.41158260    5.16575794    3.43158267
 O                  6.88542944    4.30164700    5.32330984
 C                  7.03379265    6.87474049    4.66897400
 C                  6.71181849    7.85644372    3.72912932
 C                  8.09459837    7.03003237    5.56411287
 C                  7.48905961    9.01537474    3.67914669
 H                  5.88111142    7.70981976    3.04750689
 C                  8.85939715    8.19453833    5.50754414
 H                  8.30098658    6.26043176    6.29462742
 C                  8.55828167    9.18336755    4.56554613
 H                  7.25928805    9.78546574    2.94850120
 H                  9.68048245    8.32738812    6.20624752
 H                  9.15579091   10.09000734    4.52351021

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

-Cu 0
LANL2DZ


