%chk=000064509.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000064509 0 1 F 3.061500 -1.880600 1.919800 O -1.108800 0.2483000 -2.6600000E-02 O -0.3623000 2.434300 0.2233000 O -4.467000 -2.411800 -0.2738000 N -2.873900 1.867400 0.2711000 N -4.570100 0.4396000 0.1428000 N -2.175400 -2.366200 -0.3470000 C 1.199000 0.6265000 -6.9600001E-02 C 2.849900 -0.9918000 0.9178000 C 2.723600 -0.7128000 -1.575400 C 3.673000 1.134200 -0.1380000 C 1.448800 -0.3850000 1.065300 C 1.320100 -9.7800002E-02 -1.426300 C 2.264100 1.739400 4.0000002E-03 C 2.959800 -1.712700 -0.4316000 C 3.902900 0.1209000 0.9955000 C 3.776000 0.4081000 -1.491900 C -0.1663000 1.235600 7.1099997E-02 C -2.418900 0.5969000 7.5800002E-02 C -3.437700 -0.3101000 -7.7000000E-03 C -4.181900 1.740200 0.3069000 C -3.416300 -1.722800 -0.2054000 H 2.803800 -1.225700 -2.540200 H 4.425500 1.928600 -8.4700003E-02 H 1.349900 9.6900001E-02 2.047000 H 0.7033000 -1.190600 1.061900 H 1.129100 0.6027000 -2.250000 H 0.5697000 -0.8926000 -1.521100 H 2.193100 2.280800 0.9569000 H 2.103200 2.482400 -0.7886000 H 2.230800 -2.531200 -0.4797000 H 3.947500 -2.180300 -0.5273000 H 4.909400 -0.3104000 0.9274000 H 3.851700 0.6180000 1.972000 H 4.781300 -1.3500000E-02 -1.614200 H 3.627900 1.122000 -2.311500 H -5.522100 9.7900003E-02 0.1345000 H -4.895700 2.539300 0.4471000 H -1.293400 -1.866700 -0.3061000 H -2.126400 -3.368700 -0.4952000 %chk=000064509-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000064509 0 1 F 3.450834 -1.033780 2.587892 O -1.102220 -0.068390 0.206695 O -0.597981 2.188441 -0.222852 O -4.962012 -1.338501 -1.777188 N -2.796575 0.961077 1.645081 N -4.643423 0.216566 0.574357 N -2.640470 -1.580123 -1.972330 C 1.239326 0.517505 -0.099710 C 3.095345 -0.520809 1.246630 C 2.855104 -1.134796 -1.169962 C 3.660950 1.174850 -0.506236 C 1.636380 -0.034417 1.314570 C 1.383976 -0.639536 -1.144128 C 2.195646 1.683135 -0.482319 C 3.240747 -1.672616 0.239410 C 4.047678 0.634417 0.902110 C 3.799911 0.036141 -1.552682 C -0.195509 1.030350 -0.055953 C -2.436727 0.222140 0.531935 C -3.555997 -0.264001 -0.162980 C -4.152015 0.944179 1.640114 C -3.781386 -1.096109 -1.361815 H 2.948274 -1.951296 -1.911154 H 4.330978 2.013812 -0.772065 H 1.542771 0.760096 2.077717 H 0.971042 -0.866329 1.604135 H 1.090324 -0.273872 -2.147907 H 0.709385 -1.472531 -0.870195 H 2.081602 2.509729 0.243352 H 1.912390 2.087920 -1.472114 H 2.583597 -2.511904 0.535240 H 4.283328 -2.041106 0.243576 H 5.092498 0.271898 0.909594 H 3.960728 1.430529 1.664998 H 4.847558 -0.321054 -1.591554 H 3.544861 0.415902 -2.561485 H -5.611809 0.023913 0.308557 H -4.781501 1.433507 2.378107 H -1.714736 -1.388835 -1.586027 H -2.744171 -2.157400 -2.805113