%nprocshared=8
%mem=20GB
#p opt freq=(NoRaman) b3lyp/gen scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3 Int=Grid=UltraFine

PhCHO

0 1
 C                 -1.09709963   -0.08196721    0.00000000
 C                  0.29806037   -0.08196721    0.00000000
 C                  0.99559837    1.12578379    0.00000000
 C                  0.29794437    2.33429279   -0.00119900
 C                 -1.09688063    2.33421479   -0.00167800
 C                 -1.79448163    1.12600879   -0.00068200
 H                 -1.64685863   -1.03428421    0.00045000
 H                  0.84756837   -1.03448021    0.00131500
 H                  2.09527837    1.12586379    0.00063400
 H                 -1.64700263    3.28649579   -0.00263100
 H                 -2.89408563    1.12619179   -0.00086200
 C                  1.06844845    3.66768075   -0.00128162
 H                  2.13844512    3.66515744   -0.00041869
 O                  0.44398338    4.76020663   -0.00236053

-C -P -O -H -N 0
6-31g(d)
****
-Cl 0
6-31g+(d)
****
-Co 0
LANL2DZ
****

-Co 0
LANL2DZ

