%chk=000076226.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000076226 0 1 F 3.445000 -0.6100000 0.1801000 O -1.051100 -2.617700 6.8499997E-02 O -2.442700 -0.9352000 -0.1596000 O -2.400600 1.802500 0.6513000 N -1.280400 -1.391100 -4.8599999E-02 C -0.1835000 -0.4849000 -5.5399999E-02 C -0.3850000 0.8892000 -0.1863000 C 1.110400 -0.9912000 6.8400003E-02 C 0.7071000 1.756800 -0.1933000 C 2.202500 -0.1236000 6.1299998E-02 C 2.000900 1.250300 -6.9600001E-02 C -1.722500 1.455000 -0.3169000 H 1.310200 -2.054600 0.1720000 H 0.5632000 2.829600 -0.2945000 H 2.851500 1.925500 -7.5000003E-02 H -2.089300 1.577300 -1.350600 %chk=000076226-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000076226 0 1 F 3.495510 -0.618819 0.211190 O -0.967768 -2.710554 -0.488441 O -2.451912 -1.137553 0.231300 O -1.901031 2.805028 -0.313796 N -1.269199 -1.511480 -0.125949 C -0.169969 -0.499772 -0.098743 C -0.425618 0.901545 -0.149149 C 1.134330 -1.024862 0.006413 C 0.698751 1.769002 -0.066262 C 2.196946 -0.114160 0.091207 C 2.010684 1.281452 0.065059 C -1.766108 1.554415 -0.365789 H 1.301461 -2.104245 0.026916 H 0.499701 2.844860 -0.114381 H 2.871796 1.951155 0.138634 H -2.621873 0.891889 -0.596408