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

Ag Carbene - Alcane -- PROJECT

0 1
47      -0.341866000     -0.033367000      0.774905000
6       -2.287058000     -0.225594000      1.287286000
7        1.007263000      1.654286000     -0.169173000
7        2.341188000      1.686440000      0.063752000
7        1.556208000     -1.198974000      0.114080000
7        2.781555000     -0.770234000      0.495571000
7        1.300266000      0.180006000      2.794023000
7        2.454513000      0.794059000      2.456898000
5        3.025934000      0.675586000      1.025515000
6        0.732273000      2.437878000     -1.203307000
6        1.923917000      3.024828000     -1.705482000
6        2.938132000      2.520792000     -0.845706000
6        1.641344000     -2.457202000     -0.289067000
6        2.973604000     -2.924872000     -0.151676000
6        3.677433000     -1.797901000      0.356724000
6        1.110909000      0.326951000      4.094893000
6        2.169573000      1.082535000      4.672771000
6        3.015621000      1.369287000      3.567891000
1        4.186003000      0.886454000      1.041978000
6        4.183341000      2.134112000      3.737660000
6        4.485991000      2.575617000      5.010798000
6        2.503046000      1.539838000      5.958144000
6        3.655336000      2.279506000      6.118130000
6        4.279020000      2.917543000     -1.016928000
6        4.570843000      3.772237000     -2.060957000
6        2.252315000      3.884343000     -2.769428000
6        3.568831000      4.252027000     -2.937064000
6        5.055240000     -1.887810000      0.632521000
6        5.685012000     -3.093492000      0.396287000
6        3.637119000     -4.144241000     -0.372741000
6        4.985580000     -4.218350000     -0.102943000
9        5.268037000      2.501233000     -0.215999000
9        5.830409000      4.168998000     -2.265971000
9        3.932743000      5.067339000     -3.934069000
9        1.320227000      4.335466000     -3.616261000
9        1.721262000      1.273349000      7.012503000
9        4.013058000      2.742861000      7.323082000
9        5.582331000      3.312087000      5.222691000
9        4.982283000      2.456756000      2.709878000
9        5.761013000     -0.862954000      1.129717000
9        6.990092000     -3.225879000      0.652698000
9        5.664049000     -5.356494000     -0.291904000
9        2.979691000     -5.220044000     -0.820350000
6        0.422319000     -3.199198000     -0.742964000
9       -0.532525000     -2.333464000     -1.194761000
9        0.734581000     -4.054073000     -1.750575000
6       -0.644731000      2.497013000     -1.789736000
9       -1.596798000      2.224960000     -0.850645000
9       -0.900158000      3.727146000     -2.301784000
6       -0.080135000     -0.282346000      4.761117000
9       -0.655332000     -1.219624000      3.951845000
9        0.285136000     -0.878976000      5.928885000
6       -0.230068000     -4.035148000      0.382904000
9       -0.602377000     -3.224372000      1.393273000
9       -1.310162000     -4.680553000     -0.066749000
9        0.653140000     -4.927604000      0.853372000
6       -1.196071000      0.727885000      5.107308000
9       -2.202953000      0.125876000      5.748010000
9       -0.720251000      1.719122000      5.869918000
9       -1.680447000      1.262967000      3.965173000
6       -0.842605000      1.468140000     -2.929876000
9        0.019566000      1.730053000     -3.924421000
9       -0.603733000      0.225958000     -2.469112000
9       -2.089933000      1.518771000     -3.404477000
1       -2.702669000     -0.217099000      2.299510000
7       -1.580641000      3.436081000      1.890992000
7       -2.402433000      2.716900000      1.728963000
6       -3.419584000     -0.339024000      0.307838000
9       -3.046722000     -0.197170000     -0.972262000
9       -3.907024000     -1.594095000      0.467955000
9       -4.394339000      0.556324000      0.553808000

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

Ag 0
LANL2DZ


