%nproc=24
%mem=120GB
#p opt=(CalcFC) freq=NoRaman SCRFDef=AsymmetricIEFPCM B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
7       -1.550910000      2.191082000     -0.729757000
7       -2.753186000      1.674051000     -0.422104000
7       -1.464842000     -0.871559000     -0.534420000
7       -2.462710000     -0.711693000      0.354070000
7       -0.692940000      1.018008000      1.928146000
7       -2.017755000      1.223835000      1.948033000
5       -2.917864000      0.707787000      0.787408000
6       -1.718285000      2.959244000     -1.804045000
6       -3.063501000      2.942728000     -2.219673000
6       -3.693823000      2.100748000     -1.307622000
6       -1.344423000     -2.178733000     -0.753760000
6       -2.280908000     -2.898531000      0.014064000
6       -2.978637000     -1.918864000      0.713127000
6       -0.175779000      1.676087000      2.965747000
6       -1.190701000      2.334374000      3.689223000
6       -2.359673000      2.016169000      2.999908000
1       -4.044932000      0.683641000      1.134224000
6       -0.339892000     -2.699059000     -1.736860000
9        0.365521000     -1.693892000     -2.293039000
9       -0.939694000     -3.380610000     -2.733512000
6       -0.549637000      3.680755000     -2.401280000
9        0.556666000      3.531258000     -1.635827000
9       -0.784401000      4.997898000     -2.529009000
6        1.314284000      1.699040000      3.094164000
9        1.845278000      0.459138000      2.940767000
9        1.736154000      2.181722000      4.266475000
9        1.868890000      2.466517632      2.113170632
9        0.536741000     -3.541545000     -1.148817000
9       -0.242873000      3.205035000     -3.632244000
6       -3.791026000      2.406275000      3.241604000
6       -4.123617000     -2.016224000      1.678547000
6       -5.126392000      1.664055000     -1.189623000
35      -3.786801000      3.886887000     -3.688503000
35      -0.993541000      3.392545000      5.245233000
35      -2.497471000     -4.776075000      0.031694000
9       -3.905131000      3.242120000      4.284649000
9       -4.305625000      3.030422000      2.158000000
9       -4.560227000      1.328070000      3.491208000
9       -5.709908000      2.176392000     -0.087599000
9       -5.844712000      2.052747000     -2.254294000
9       -5.212943000      0.317267000     -1.103860000
9       -3.868993000     -1.303731000      2.800016000
9       -4.350164000     -3.287049000      2.045189000
9       -5.262329000     -1.530848000      1.143146000
6        2.735301368      1.061035736     -2.133585527
8        2.402544736      0.594090000     -3.205902527
8        3.212775000      2.314517473     -1.978072000
6        3.220040632      3.113398368     -3.168350368
1        2.221846000      3.162434368     -3.611121368
1        3.926566632      2.719420000     -3.904125000
6        2.467727206      0.322546419     -0.879071213
1        3.069418064      1.130926845      0.144520527
6        4.125473581      1.332628213      0.496997003
1        4.163832057      0.792221213      1.442453003
1        4.859266632      0.974500159     -0.217886682
47       0.400771632      0.779287000     -0.283561000
1        4.137448007      2.419003845      0.598428426
6        2.925121736     -1.058472000     -0.698720527
6        3.573696895     -1.778858000     -1.720777264
6        2.625793736     -1.722461000      0.514386736
6        3.873051632     -3.126771000     -1.549547632
6        2.964154000     -3.054046368      0.699515000
6        3.576749000     -3.760599368     -0.341066000
1        3.786197264     -1.300317632     -2.666533264
1        2.123852736     -1.176512736      1.306226105
1        4.336961632     -3.686384632     -2.352998000
1        2.725006632     -3.555946736      1.628996000
6        3.941155000     -5.207474000     -0.126128000
9        5.064379000     -5.320271368      0.623390000
9        2.965483000     -5.870606368      0.530870000
9        4.169812000     -5.856281000     -1.286919000
6        3.659477000      4.500164368     -2.753080368
9        3.718364000      5.289619368     -3.846588000
9        2.809020000      5.063831000     -1.876759000
9        4.881899000      4.482234000     -2.185214000

-Ag 0
LANL2DZ
F 1 1.000
1.611 1.000
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B O F 0
6-31G(d,p)
****

Ag Br 0
LANL2DZ









