%nproc=32
%mem=120GB
#p opt=CalcFC freq B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane) SCRFDef=AsymmetricIEFPCM

Ag Carbene - Alcane -- PROJECT

0 1
47      -0.278365000      0.032359000      0.804156000
6       -2.203406000     -0.461249000      1.286246000
7        1.127946000      1.709891000     -0.068321000
7        2.473637000      1.638306000      0.065080000
7        1.596893000     -1.219631000      0.067899000
7        2.841205000     -0.850209000      0.440291000
7        1.410346000      0.155985000      2.757331000
7        2.596808000      0.702131000      2.419273000
5        3.148276000      0.576408000      0.980323000
6        0.840500000      2.598048000     -1.010007000
6        2.031897000      3.151370000     -1.549435000
6        3.065261000      2.506234000     -0.813838000
6        1.613560000     -2.490071000     -0.303172000
6        2.918694000     -3.027066000     -0.151258000
6        3.681523000     -1.925918000      0.330509000
6        1.180561000      0.407179000      4.036490000
6        2.240234000      1.172563000      4.594177000
6        3.137146000      1.342447000      3.503155000
1        4.314891000      0.748892000      0.982278000
6        4.322153000      2.083688000      3.659802000
6        4.587529000      2.620969000      4.904214000
6        2.533231000      1.731735000      5.847768000
6        3.701913000      2.446572000      5.995406000
6        4.415679000      2.825428000     -1.056558000
6        4.693785000      3.748621000     -2.043976000
6        2.345088000      4.080205000     -2.557974000
6        3.670598000      4.373028000     -2.794951000
6        5.052636000     -2.084359000      0.613761000
6        5.616130000     -3.326988000      0.409249000
6        3.517568000     -4.283409000     -0.343776000
6        4.859093000     -4.424684000     -0.066673000
9        5.427214000      2.267502000     -0.378447000
9        5.962613000      4.074661000     -2.312722000
9        4.021713000      5.248804000     -3.744013000
9        1.388226000      4.667162000     -3.286024000
9        1.692153000      1.589087000      6.880454000
9        4.024509000      3.003526000      7.170762000
9        5.699796000      3.339480000      5.101434000
9        5.173115000      2.295174000      2.644862000
9        5.811794000     -1.086189000      1.087881000
9        6.911544000     -3.524613000      0.673372000
9        5.477088000     -5.600603000     -0.228385000
9        2.806327000     -5.333282000     -0.772843000
6        0.353586000     -3.182036000     -0.722173000
9       -0.563848000     -2.279307000     -1.174330000
9        0.604315000     -4.071397000     -1.718982000
6       -0.567897000      2.817762000     -1.469838000
9       -1.472909000      2.477225000     -0.504855000
9       -0.763399000      4.118952000     -1.799422000
6       -0.100981000     -0.034834000      4.668453000
9       -0.675713000     -1.039564000      3.941333000
9        0.104880000     -0.481102000      5.935382000
6       -0.314926000     -3.971811000      0.431037000
9       -0.615714000     -3.135469000      1.447526000
9       -1.437578000     -4.564087000      0.016342000
9        0.532967000     -4.904505000      0.888827000
6       -1.147116000      1.100344000      4.751058000
9       -2.306165000      0.653806000      5.254000000
9       -0.686463000      2.099917000      5.511981000
9       -1.383058000      1.585035000      3.513277000
6       -0.933638000      1.953341000     -2.701322000
9       -0.139042000      2.273894000     -3.732167000
9       -0.751287000      0.650543000     -2.406610000
9       -2.208726000      2.139661000     -3.052783000
1       -2.567603000     -0.632629000      2.302494000
7       -3.438195000      2.857843000      1.642669000
7       -3.373491000      1.762075000      1.521673000
6       -3.219781000     -0.980047000      0.304882000
9       -3.035946000     -0.524202000     -0.942942000
9       -3.004734000     -2.324297000      0.308325000
9       -4.501249000     -0.750143000      0.645634000

-Ag 0
LANL2DZ
F 1 1.000
1.611 1.000
****
-C N H B F 0
6-31G(d,p)
****

Ag 0
LANL2DZ


