%mem=120GB
%nproc=24
#p B3LYP/genecp freq=projected scrf=(smd,solvent=Dichloromethane) EmpiricalDispersion=GD3 SCF=XQC

Title Card Required

0 3
29      -1.202834050     -0.925453470     -0.224642690
7        0.754194960     -0.916433370     -1.158980450
7        1.773695000     -0.541135130     -0.334612370
7       -0.676484410      1.492853810     -0.010659950
7        0.655665810      1.643354380      0.254160700
7       -0.492322840     -0.818927900      1.727026140
7        0.702264710     -0.203876560      1.961789260
5        1.497865680      0.467232220      0.807971220
6        1.298265630     -1.577398430     -2.177382620
6        2.696878340     -1.660383400     -2.028669840
6        2.950757740     -0.983861950     -0.837654220
6       -1.113776790      2.679122160     -0.417068720
6       -0.071666350      3.630542130     -0.445982380
6        1.039358270      2.917543930     -0.010239500
6       -1.011325810     -1.129894420      2.915256970
6       -0.157024140     -0.726324050      3.956002030
6        0.918715720     -0.135499840      3.297258910
1        2.525284720      0.869581850      1.231923760
7       -2.559528320     -1.820152280     -1.264079370
16      -3.291173010     -1.171674490     -2.634975510
8       -3.306380740     -2.156328310     -3.735311420
8       -2.701833500      0.157636400     -2.857771260
6       -4.968240480     -0.951070600     -2.053468580
6       -6.016692530     -1.640266840     -2.659100110
6       -5.185451290     -0.123030730     -0.946676730
6       -7.306653170     -1.485156650     -2.149699320
1       -5.821791150     -2.293349460     -3.502604690
6       -6.475992260      0.013520930     -0.448198470
1       -4.352229210      0.386016410     -0.475674140
6       -7.557039000     -0.662834250     -1.041804980
1       -8.130417300     -2.017237790     -2.617242050
1       -6.650887490      0.646630770      0.417725630
6       -8.954615860     -0.485356200     -0.507329330
1       -9.419458000      0.410857090     -0.937767990
1       -9.590665850     -1.339257810     -0.757374800
1       -8.952790230     -0.358257300      0.579869930
6       -1.386078440     -3.491916200     -0.155130420
6       -2.441170970     -3.284898380     -1.221034840
1       -2.079090370     -3.673949110     -2.178065910
6       -0.134271960     -4.017505150     -0.382685340
6        0.987300680     -4.471778090     -0.567722210
35      -2.689021950     -1.976517660      3.082362740
35      -2.933976760      2.987638100     -0.814191620
35       0.243686520     -2.248568170     -3.581987050
35       3.940989800     -2.482136530     -3.178365210
35       4.611982610     -0.704766900      0.001294060
35       2.442089480      0.647770940      4.075750450
35      -0.408560150     -0.937955080      5.809019270
35      -0.157379110      5.447713400     -0.939318850
35       2.806410070      3.541374490      0.192197080
1       -1.710590830     -3.373821250      0.875164670
6       -3.717485250     -4.013618180     -0.835565850
6       -4.589125150     -3.468285030      0.118306170
6       -4.007210440     -5.261316840     -1.401075350
6       -5.738888030     -4.159580860      0.496616590
6       -5.155534100     -5.956446160     -1.017187030
6       -6.022337360     -5.408042700     -0.067431780
1       -4.376716480     -2.488755270      0.531338870
1       -3.335186310     -5.682099130     -2.144735040
1       -6.418298240     -3.719516280      1.221024580
1       -5.377105640     -6.921831020     -1.463144580
1       -6.917053280     -5.948666900      0.227903430
1        1.959317970     -4.888301010     -0.731950650

-Cu 0
LANL2DZ
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B O S 0
6-31G(d,p)
****

Cu Br 0
LANL2DZ



