%chk=000121794.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000121794 0 1 O 2.695300 -2.394500 9.9999997E-05 O 2.695100 2.394500 9.9999997E-05 O 4.086800 9.9999997E-05 5.0000002E-04 C -6.6299997E-02 0.000000 -9.9999997E-05 C -1.513200 -9.9999997E-05 0.000000 C 0.6310000 1.208000 -1.9999999E-04 C 0.6311000 -1.208000 -9.9999997E-05 C 2.026000 -1.207900 0.000000 C 2.025900 1.208000 -3.0000001E-04 C 2.723400 0.000000 -9.9999997E-05 C -2.210600 9.9999997E-05 1.208000 C -2.210600 -3.0000001E-04 -1.207900 C -3.605500 9.9999997E-05 1.208100 C -3.605400 -9.9999997E-05 -1.208000 C -4.302900 9.9999997E-05 9.9999997E-05 H 8.9500003E-02 2.151900 -1.9999999E-04 H 9.6699998E-02 -2.155800 0.000000 H -1.682600 1.9999999E-04 2.158700 H -1.682600 -3.9999999E-04 -2.158700 H -4.148700 1.9999999E-04 2.148600 H -4.148700 -9.9999997E-05 -2.148500 H -5.389000 1.9999999E-04 0.000000 H 3.650100 -2.207100 9.9999997E-05 H 2.050300 3.122700 9.9999997E-05 H 4.393700 0.9235000 3.9999999E-04 %chk=000121794-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000121794 0 1 O 2.778244 -2.400896 -0.000089 O 2.862670 2.393588 0.000214 O 4.167321 -0.026772 0.000076 C -0.067069 0.007140 0.000031 C -1.569982 -0.003315 0.000013 C 0.631871 1.243368 0.000117 C 0.653583 -1.213203 -0.000032 C 2.064214 -1.199201 -0.000013 C 2.042047 1.242122 0.000136 C 2.760409 0.030858 0.000068 C -2.293009 -0.008100 1.221596 C -2.292973 -0.008664 -1.221594 C -3.706691 -0.017325 1.222181 C -3.706653 -0.017885 -1.222213 C -4.418195 -0.021687 -0.000024 H 0.074005 2.187395 0.000160 H 0.134229 -2.175189 -0.000094 H -1.742334 -0.008308 2.169346 H -1.742264 -0.009306 -2.169323 H -4.250288 -0.022941 2.173941 H -4.250228 -0.023937 -2.173982 H -5.514118 -0.030070 -0.000042 H 3.751143 -2.198835 -0.000052 H 2.328114 3.222939 0.000193 H 4.534752 0.893523 0.000087