%nprocshared=20
%mem=41GB
#p opt=(calcfc,maxstep=17) freq=noraman b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq

1 1
 C                  2.59819180   -0.51940466   -0.90153919
 C                  2.25688554   -1.03235218    0.37551174
 C                  2.79244313   -2.25416480    0.82910829
 C                  4.02576706   -2.47233407   -1.22672243
 H                  2.50746682   -2.62393012    1.80922026
 H                  4.71686250   -3.02284755   -1.85838359
 C                  1.36964236   -0.32293460    1.24888985
 C                  0.68969512    0.26733520    2.09686490
 C                  2.01016424    0.77754063   -1.43549441
 H                  0.93743145    0.62249280   -1.61802070
 H                  2.45476028    0.97257946   -2.41843345
 C                  2.16815004    1.98881143   -0.53177634
 H                  2.89743000    1.88584438    0.26989935
 C                  1.50816213    3.15119550   -0.64408382
 C                  0.48178904    3.43838918   -1.71159834
 H                 -0.46635186    3.75530538   -1.25676377
 H                  0.81465372    4.26913341   -2.34903952
 H                  0.28133055    2.58253962   -2.35983664
 C                  1.76371685    4.28850867    0.31441023
 H                  2.10523162    5.18284946   -0.22519240
 H                  0.84141231    4.57514720    0.83832575
 H                  2.51938153    4.03298337    1.06450857
 P                 -2.77504866   -0.54772034   -0.75187825
 C                 -4.32831450   -0.40718930    0.20876352
 H                 -5.19001063   -0.54596800   -0.45206578
 H                 -4.34213876   -1.16954553    0.99228075
 H                 -4.38043794    0.58099474    0.67365029
 C                 -2.83497882   -2.18999898   -1.56187045
 H                 -3.74326756   -2.27633976   -2.16690726
 H                 -1.95722538   -2.31190491   -2.20231756
 H                 -2.82764516   -2.97155383   -0.79747725
 C                 -2.91480340    0.67686881   -2.10716923
 H                 -2.96054948    1.68486540   -1.68604754
 H                 -2.03680869    0.60291767   -2.75477293
 H                 -3.81953564    0.48279664   -2.69245435
 Au                -0.87832385   -0.26102279    0.54092863
 C                  3.67990519   -2.96995098    0.03207507
 H                  4.09679595   -3.90629566    0.38929140
 C                  3.48712207   -1.26561547   -1.68048984
 H                  3.76590491   -0.89207609   -2.66215738
 C                  0.28587065    1.08396118    3.25379556
 H                 -0.52479794    0.60832285    3.81293391
 H                  1.14436158    1.21735950    3.92082833
 H                 -0.05739132    2.06894142    2.92169278

C H P 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD




