%nprocshared=20
%mem=41GB
%chk=trans.chk
#p pop=(full,nboread) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) gfoldprint gfinput gfprint

nbo

1 1
 C                  0.78397199   -0.51332887   -0.83811371
 C                  1.38209441   -1.83208659   -0.67414916
 C                  3.31293488   -2.96252300    0.22751547
 H                  4.12947094   -2.68238512    0.89936534
 H                  3.71027572   -3.70714075   -0.47362698
 C                  2.80205897   -1.78968133   -0.57636822
 H                  3.42794810   -1.29499516   -1.31143522
 C                  1.98678861   -0.43496913    0.21216985
 C                  0.85507897   -2.99275221    0.12163584
 H                  0.56264368   -3.73733789   -0.63484468
 H                 -0.04123342   -2.73918389    0.69296159
 C                  2.05486764   -3.48440809    0.96901989
 H                  1.14600489    0.01469916   -1.72262128
 H                  1.71089637   -0.67412758    1.23516871
 C                  2.91162741    0.75702402    0.14115922
 C                  3.42321995    1.23165571    1.35710587
 C                  3.26763459    1.39981034   -1.05089378
 C                  4.26923169    2.34221211    1.37967143
 H                  3.15766934    0.73641194    2.28707793
 C                  4.11650533    2.50655927   -1.02433413
 H                  2.89574814    1.04315895   -2.00701078
 C                  4.61872009    2.98289335    0.18975161
 H                  4.65396519    2.70209918    2.32943144
 H                  4.38373841    2.99636692   -1.95599928
 Au                -1.17198612   -0.02802625   -0.29437690
 P                 -3.35927238    0.58010372    0.30007722
 C                 -3.99987398    2.03597835   -0.61862433
 C                 -4.61560301   -0.72992598    0.01654543
 C                 -3.56086770    1.02893484    2.07030590
 H                 -3.99658891    1.82068406   -1.69094683
 H                 -5.01997992    2.27038451   -0.29735568
 H                 -3.35267354    2.89782689   -0.43224715
 H                 -4.63030418   -0.99833952   -1.04359734
 H                 -5.60753475   -0.37595215    0.31621468
 H                 -4.35551188   -1.61775808    0.59997840
 H                 -4.60034578    1.30404633    2.27712059
 H                 -3.27902600    0.17781369    2.69693753
 H                 -2.90723865    1.87252384    2.31003097
 H                  5.27795521    3.84566154    0.20647927
 H                  1.99822163   -3.04477846    1.96991310
 H                  2.06154977   -4.56951715    1.08923965

C H P 0
6-311+G(d,p)
****
Au 0
SDD
****

Au 0
SDD

$NBO NLMO NBONLMO NAONLMO PLOT ARCHIVE file=nbo $END

