%chk=1a_opt.chk
%nproc=16
%mem=44GB
#P B3LYP/def2svp opt freq=noraman Integral(Grid=Ultrafine) EmpiricalDispersion=GD3BJ

OPT

1   0
6       -0.793303000     -0.016058000     -0.000025000
6       -1.520809000      1.187457000      0.000056000
6       -1.498616000     -1.232103000     -0.000088000
1       -0.973710000      2.130668000      0.000097000
1       -0.957461000     -2.180505000     -0.000179000
6       -2.915482000      1.170769000      0.000080000
6       -2.892804000     -1.245003000     -0.000058000
1       -3.465856000      2.114602000      0.000144000
1       -3.424528000     -2.199383000     -0.000106000
6       -3.607883000     -0.043296000      0.000031000
1       -4.700277000     -0.054437000      0.000057000
6        1.561689000     -1.045508000      0.000082000
6        0.678738000      0.019469000     -0.000019000
7        1.336448000      1.232614000     -0.000116000
7        2.597872000      1.193161000     -0.000095000
16       3.161952000     -0.466237000      0.000056000
1        1.321180000     -2.105934000      0.000210000

--Link1--
%chk=int_s1_opt.chk
%nproc=16
%mem=44GB
#P B3LYP/def2tzvp geom=check EmpiricalDispersion=GD3BJ SCRF=(SMD,Solvent=Tetrahydrofuran)

spe

1	0

