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

Ag Carbene - Alcane -- PROJECT

0 1
9        7.109813000     -1.471553000      5.145342000
9        5.917843000     -2.269804000      6.834094000
9        0.310625000     -2.011164000     10.162080000
9        2.412711000     -2.162449000     10.813934000
9        6.874846000      0.881817000     14.071649000
9        6.825673000     -0.603975000     12.435414000
7        5.550353000      0.236771000      7.754458000
7        5.392020000      1.571545000      7.897796000
7        3.042046000      0.065126000      9.426228000
7        3.054310000      1.264998000      8.805665000
7        5.432573000      1.157056000     10.874151000
7        4.849856000      2.233259000     10.299122000
6        6.498596000      0.017691000      6.853902000
6        7.019352000      1.248958000      6.370324000
6        6.275295000      2.227702000      7.083332000
6        6.891631000     -1.377196000      6.485482000
6        1.862923000     -0.502825000      9.234137000
6        1.033683000      0.331751000      8.437100000
6        1.846037000      1.473312000      8.191127000
6        1.601512000     -1.880035000      9.752729000
6        5.589618000      1.397233000     12.167089000
6        5.093314000      2.689354000     12.494835000
6        4.622386000      3.192669000     11.251499000
6        6.096216000      0.337334000     13.095947000
5        4.315731000      2.172471000      8.841640000
1        4.033717000      3.259994000      8.475636000
6        8.005807000      1.639514000      5.448770000
6        8.234549000      2.984462000      5.256573000
6        7.496421000      3.954951000      5.975735000
6        6.522652000      3.598543000      6.886215000
6        4.037755000      4.470218000     11.174916000
6        4.966893000      3.456016000     13.666469000
6        4.394320000      4.705981000     13.579452000
6        3.934349000      5.205281000     12.338899000
6       -0.264648000      0.251375000      7.908232000
6        1.351317000      2.543011000      7.422082000
6        0.068264000      2.442717000      6.921776000
6       -0.739327000      1.305758000      7.159481000
9       -1.029708000     -0.829161000      8.112970000
9       -1.969936000      1.276441000      6.630611000
9       -0.439241000      3.433790000      6.179994000
9        2.081777000      3.633117000      7.148776000
9        5.376931000      2.992116000     14.853260000
9        4.249563000      5.473637000     14.667867000
9        3.379134000      6.422669000     12.314169000
9        3.570921000      4.982816000     10.027793000
9        8.723520000      0.731608000      4.774717000
9        9.167689000      3.407328000      4.393641000
9        7.773951000      5.245931000      5.761615000
9        5.864002000      4.549674000      7.563712000
6        8.180389000     -1.862891000      7.177817000
9        9.204761000     -1.054380000      6.885653000
9        8.011021000     -1.875737000      8.514678000
9        8.493806000     -3.111163000      6.795140000
6        1.852313000     -2.979740000      8.693986000
9        1.036698000     -2.798098000      7.645458000
9        3.127415000     -2.918808000      8.260595000
9        1.638629000     -4.199428000      9.200953000
6        4.934593000     -0.397574000     13.807206000
9        4.180325000      0.495703000     14.471534000
9        4.154544000     -1.006633000     12.889755000
9        5.386026000     -1.305747000     14.671892000
6        5.985932000     -2.953866000     10.490669000
6        5.384598000     -3.658081000     11.615724000
8        5.921119000     -3.400733000     12.682262000
8        4.274976000     -4.351442000     11.425347000
6        3.565071000     -4.764170000     12.636359000
1        4.167439000     -5.522815000     13.145542000
1        3.482319000     -3.891772000     13.290249000
6        2.214725000     -5.293008000     12.205245000
1        1.666579000     -5.646153000     13.084367000
1        2.326740000     -6.129411000     11.509057000
1        1.631147000     -4.509300000     11.719653000
47       5.219179000     -1.061148000      9.828818000
6        7.452548645     -3.351124721     10.240027572
6        8.506955746     -2.517190591     10.648819573
6        7.774301395     -4.557815772      9.596053003
6        9.834487162     -2.876474792     10.422105773
6        9.101635922     -4.917648358      9.369056289
6       10.138179234     -4.078574650      9.781059452
1        8.281871398     -1.579987894     11.148271821
1        6.975786987     -5.217758876      9.271531440
1       10.633154967     -2.215749360     10.747034562
1        9.326334500     -5.855570440      8.869236528
1       11.172430001     -4.358719526      9.604308363

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

Ag 0
LANL2DZ









