%chk=000124857.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124857 0 1 P 2.451700 -1.289900 8.7499999E-02 O 2.016000 0.2607000 -7.0799999E-02 O 1.485200 2.971100 -0.3790000 O 1.812400 -2.014300 -1.209900 O 4.031700 -1.253700 -0.2601000 O 2.121800 -1.916500 1.411000 N -4.443900 -2.116600 -0.3435000 C -1.611200 0.3109000 0.3790000 C -2.726200 -0.6411000 0.6511000 C -0.3017000 -0.1591000 0.2793000 C -3.339900 -1.208500 -0.6354000 C -1.877600 1.671400 0.2245000 C 0.7415000 0.7315000 2.5200000E-02 C 0.4749000 2.092000 -0.1293000 C -0.8346000 2.562000 -2.9600000E-02 H -2.364200 -1.460800 1.286300 H -3.500900 -0.1353000 1.243300 H -0.1337000 -1.223800 0.3984000 H -2.581100 -1.747000 -1.214600 H -3.709600 -0.3969000 -1.272500 H -2.893800 2.049700 0.2980000 H -1.056400 3.619100 -0.1485000 H -5.154600 -1.625500 0.1979000 H -4.112900 -2.873800 0.2535000 H 1.113700 3.866700 -0.4562000 H 1.895400 -2.987600 -1.298600 H 4.562800 -2.069200 -0.1372000 %chk=000124857-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000124857 0 1 P 2.537274 -1.531729 -0.221961 O 2.049823 -0.005847 0.433755 O 1.771705 2.563095 -0.415213 O 2.443718 -1.217721 -1.914615 O 4.175950 -1.381924 0.210715 O 1.840065 -2.876718 0.233635 N -4.640306 -2.139805 -0.206092 C -1.701934 0.294882 0.575355 C -2.922142 -0.559028 0.868205 C -0.398510 -0.259801 0.648504 C -3.461993 -1.287493 -0.413936 C -1.828378 1.646469 0.166051 C 0.730757 0.508810 0.309175 C 0.601237 1.859060 -0.102151 C -0.695269 2.420972 -0.163366 H -2.684499 -1.330104 1.626601 H -3.741093 0.062052 1.281433 H -0.255698 -1.296146 0.977546 H -2.650530 -1.908251 -0.838170 H -3.706901 -0.526783 -1.179623 H -2.823293 2.103351 0.111547 H -0.816483 3.467711 -0.471756 H -5.489686 -1.641916 0.075155 H -4.473885 -2.974179 0.363479 H 1.551125 3.481182 -0.711247 H 2.189324 -2.011301 -2.452317 H 4.464422 -0.443339 0.359093