%chk=000009512.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000009512 0 1 F -2.743900 -2.176200 -2.3000000E-02 N 4.881400 -3.8600001E-02 -0.1791000 N -0.6563000 0.2228000 0.6026000 N -1.250300 0.1144000 -0.4958000 C 3.486200 2.7500000E-02 1.7600000E-02 C 2.833500 1.259600 -2.3499999E-02 C 2.759200 -1.139400 0.2534000 C 0.7269000 0.1582000 0.4071000 C 1.453900 1.325000 0.1714000 C 1.379400 -1.074000 0.4482000 C 5.730600 1.069800 0.2089000 C 5.485400 -1.221700 -0.7593000 C -2.640300 0.1792000 -0.2988000 C -3.361700 -0.9874000 -6.4300001E-02 C -3.285000 1.411600 -0.3404000 C -4.741400 -0.9207000 0.1307000 C -4.664600 1.478100 -0.1456000 C -5.392800 0.3120000 8.9900002E-02 H 3.367900 2.185400 -0.2165000 H 3.237700 -2.113400 0.3039000 H 0.9537000 2.289300 0.1357000 H 0.8216000 -1.988200 0.6345000 H 5.697500 1.865800 -0.5424000 H 6.775100 0.7528000 0.3062000 H 5.434900 1.480600 1.180900 H 6.485500 -1.003100 -1.150300 H 4.895500 -1.602100 -1.600900 H 5.591000 -2.011600 -8.3999997E-03 H -2.725700 2.324900 -0.5241000 H -5.308100 -1.828700 0.3141000 H -5.172000 2.437900 -0.1774000 H -6.466900 0.3639000 0.2416000 %chk=000009512-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000009512 0 1 F -2.729509 1.090056 2.188990 N 5.021728 -0.055875 -0.239280 N -0.573696 0.392929 0.609206 N -1.386091 -0.006476 -0.348604 C 3.643833 0.043648 -0.056469 C 3.091215 0.575124 1.156329 C 2.728323 -0.385037 -1.080978 C 0.804291 0.242620 0.308888 C 1.703989 0.668054 1.325629 C 1.346077 -0.287239 -0.901507 C 5.940182 0.393696 0.817127 C 5.567691 -0.602045 -1.490846 C -2.778701 0.127860 -0.085316 C -3.445996 0.630433 1.074667 C -3.614957 -0.312083 -1.154557 C -4.846821 0.692737 1.166419 C -5.018850 -0.257101 -1.080455 C -5.641622 0.248127 0.086204 H 3.747225 0.913827 1.962151 H 3.111954 -0.795480 -2.019306 H 1.275129 1.072548 2.248617 H 0.652820 -0.613926 -1.683118 H 5.813300 1.472515 1.037715 H 6.979710 0.233473 0.491879 H 5.786566 -0.169227 1.759386 H 6.667498 -0.601568 -1.440427 H 5.266224 0.003353 -2.368942 H 5.234866 -1.645132 -1.661984 H -3.104374 -0.697493 -2.043103 H -5.295859 1.088658 2.082777 H -5.625238 -0.604569 -1.923056 H -6.733008 0.297291 0.158863