%chk=000110498.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110498 1 1 Cl 3.351500 -1.506100 -6.9999998E-04 F -3.275100 -0.7869000 -3.0000001E-04 F -2.735700 1.012700 1.083400 F -2.712900 1.008300 -1.091000 N 2.373800 1.350900 1.1000000E-03 N 3.150600 2.115500 1.7000000E-03 C -0.9627000 -0.1735000 1.6000000E-03 C 5.2800000E-02 0.7828000 8.9999998E-04 C -0.6424000 -1.531000 1.5000000E-03 C -2.391300 0.2546000 6.0000003E-04 C 1.388700 0.3813000 9.9999997E-05 C 0.6935000 -1.932400 8.9999998E-04 C 1.709000 -0.9762000 1.9999999E-04 H -0.1964000 1.841400 1.0000000E-03 H -1.419200 -2.290700 1.7000000E-03 H 0.9268000 -2.994100 7.9999998E-04 %chk=000110498-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000110498 1 1 Cl 3.449033 -1.494544 0.003107 F -3.314752 -0.820877 -0.001491 F -2.719325 1.060764 1.131920 F -2.718128 1.059274 -1.136469 N 2.365845 1.331566 0.001650 N 3.201860 2.131060 0.001358 C -0.985369 -0.175570 -0.000456 C 0.010195 0.810317 -0.000068 C -0.642550 -1.553605 0.000140 C -2.438056 0.269950 -0.001500 C 1.369620 0.377963 0.001086 C 0.708453 -1.967665 0.001285 C 1.736539 -1.011717 0.001737 H -0.235821 1.877202 -0.000459 H -1.437700 -2.305941 -0.000131 H 0.961157 -3.031574 0.001792