%nprocshared=24
%mem=120GB
#p opt freq=(NoRaman) b3lyp genecp scf=xqc scrf=(smd,solvent=tetrahydrofuran) nosymm guess=always empiricaldispersion=gd3 integral=(grid=UltraFine)

homocoupled_preopt

2 2
 29	 3.619946000	 4.870274000	 10.092245000
 6	 3.617985000	 1.367502000	 10.092320000
 6	 5.164953000	 4.435999000	 7.030631000
 7	 3.590092000	 3.464509000	 8.675223000
 6	 5.226506000	 5.819079000	 6.853687000
 1	 4.309447000	 6.400732000	 6.822058000
 8	 3.771984000	 1.463361000	 7.728530000
 6	 7.576468000	 4.332493000	 6.852833000
 1	 8.490852000	 3.747769000	 6.841598000
 6	 7.631605000	 5.715604000	 6.689882000
 1	 8.587504000	 6.209050000	 6.546936000
 6	 6.453485000	 6.458621000	 6.688843000
 1	 6.488513000	 7.532086000	 6.530457000
 6	 3.825411000	 3.763124000	 7.235895000
 1	 3.028014000	 4.417007000	 6.889464000
 6	 6.350735000	 3.697649000	 7.032971000
 1	 6.324971000	 2.619355000	 7.169492000
 6	 3.676281000	 2.371310000	 6.600268000
 1	 2.699102000	 2.216200000	 6.141829000
 1	 4.469041000	 2.109255000	 5.901819000
 6	 3.656696000	 2.190334000	 8.831727000
 6	 2.344148000	 0.486542000	 10.050125000
 1	 2.329386000	-0.174378000	 10.918302000
 1	 2.356732000	-0.120569000	 9.143063000
 1	 1.442998000	 1.106497000	 10.051100000
 7	 4.706336000	 6.282761000	 11.017404000
 8	 5.664695000	 8.270449000	 11.287903000
 6	 6.597965000	 4.755323000	 11.685951000
 6	 6.967544000	 4.365151000	 10.397411000
 1	 6.733161000	 4.997658000	 9.544357000
 6	 7.646062000	 3.164179000	 10.204916000
 1	 7.936772000	 2.864856000	 9.204982000
 6	 7.960378000	 2.348322000	 11.290937000
 1	 8.490862000	 1.414504000	 11.133950000
 6	 7.600533000	 2.739430000	 12.577455000
 1	 7.847661000	 2.114268000	 13.429500000
 6	 6.924120000	 3.940337000	 12.771969000
 1	 6.647352000	 4.244115000	 13.778693000
 6	 5.852410000	 6.038563000	 11.938169000
 1	 5.439011000	 6.016652000	 12.952195000
 6	 6.663950000	 7.324093000	 11.758552000
 1	 7.084530000	 7.720341000	 12.679761000
 1	 7.429594000	 7.238285000	 10.983152000
 6	 4.664233000	 7.551641000	 10.796209000
 6	 2.934570000	 9.251894000	 11.203379000
 1	 2.203427000	 9.913222000	 10.735807000
 1	 3.692468000	 9.857430000	 11.703231000
 1	 2.427221000	 8.630555000	 11.945239000
 6	 3.606798000	 8.377492000	 10.113513000
 6	 2.073727000	 4.456589000	 13.123090000
 7	 3.648621000	 3.465552000	 11.503726000
 6	 2.023066000	 5.843168000	 13.274306000
 1	 2.944923000	 6.417297000	 13.304066000
 8	 3.459715000	 1.469736000	 12.457788000
 6	-0.340054000	 4.377231000	 13.276982000
 1	-1.259800000	 3.800998000	 13.288358000
 6	-0.384327000	 5.763398000	 13.415989000
 1	-1.337132000	 6.267714000	 13.540539000
 6	 0.800281000	 6.496089000	 13.416040000
 1	 0.773129000	 7.572475000	 13.555012000
 6	 3.409970000	 3.772155000	 12.938857000
 1	 4.207734000	 4.426500000	 13.283631000
 6	 0.881643000	 3.728537000	 13.120175000
 1	 0.899173000	 2.647987000	 13.001497000
 6	 3.551822000	 2.383242000	 13.582708000
 1	 4.526506000	 2.228181000	 14.046453000
 1	 2.755138000	 2.126843000	 14.278792000
 6	 3.579820000	 2.191357000	 11.351424000
 6	 4.890528000	 0.484629000	 10.136371000
 1	 4.904516000	-0.177977000	 9.269489000
 1	 4.876625000	-0.120758000	 11.044586000
 1	 5.792802000	 1.102998000	 10.134700000
 7	 2.522166000	 6.285363000	 9.182803000
 8	 1.548101000	 8.268957000	 8.939424000
 6	 0.636654000	 4.752884000	 8.510427000
 6	 0.276549000	 4.351492000	 9.798244000
 1	 0.511910000	 4.979612000	 10.654231000
 6	-0.393580000	 3.145292000	 9.986553000
 1	-0.676804000	 2.837623000	 10.986187000
 6	-0.708991000	 2.334964000	 8.896725000
 1	-1.232864000	 1.396856000	 9.050332000
 6	-0.358707000	 2.737080000	 7.610896000
 1	-0.606784000	 2.116071000	 6.756095000
 6	 0.309298000	 3.943451000	 7.420617000
 1	 0.578623000	 4.255587000	 6.414430000
 6	 1.373308000	 6.042718000	 8.265054000
 1	 1.782318000	 6.033024000	 7.249057000
 6	 0.554076000	 7.320891000	 8.461405000
 1	 0.126511000	 7.723745000	 7.546288000
 1	-0.207439000	 7.221506000	 9.239234000
 6	 2.555356000	 7.551854000	 9.419598000
 6	 4.272243000	 9.278922000	 9.041683000
 1	 4.994325000	 9.939234000	 9.524498000
 1	 3.509609000	 9.885859000	 8.550825000
 1	 4.791083000	 8.679044000	 8.290785000

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

-Cu 0
LANL2DZ


