%chk=000153604.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000153604 0 1 O -5.488500 -1.004700 0.3005000 O -5.446400 1.113900 -0.2726000 N 1.540700 1.025100 0.2718000 N 1.541500 -1.123700 -0.3002000 N 5.215600 0.7191000 0.1955000 N -4.859500 4.1400000E-02 1.0200000E-02 C 0.7913000 -8.0200002E-02 -2.3100000E-02 C -0.6515000 -4.9100000E-02 -1.4600000E-02 C 2.860000 0.6697000 0.1787000 C 2.836400 -0.6747000 -0.1792000 C -1.371400 -1.199900 0.3050000 C -1.324900 1.131600 -0.3258000 C 4.047900 -1.350600 -0.3572000 C 4.040200 1.370500 0.3668000 C -3.440000 1.0900000E-02 1.8000000E-03 C -2.765900 -1.170000 0.3133000 C -2.719400 1.161700 -0.3177000 C 5.194000 -0.5910000 -0.1532000 H 1.196200 1.940900 0.5286000 H -0.8654000 -2.129800 0.5536000 H -0.7940000 2.042100 -0.5921000 H 4.096500 -2.396200 -0.6352000 H 4.082900 2.414600 0.6449000 H -3.294300 -2.085300 0.5678000 H -3.211100 2.098300 -0.5682000 H 6.174500 -1.043000 -0.2719000 %chk=000153604-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000153604 0 1 O -5.553951 -1.190444 0.015203 O -5.589693 1.092099 0.009469 N 1.602269 1.153894 -0.001649 N 1.530842 -1.130998 0.018417 N 5.338248 0.684895 -0.003751 N -4.966728 -0.040273 0.012310 C 0.792151 0.004883 0.009938 C -0.674530 0.032632 0.011237 C 2.936665 0.731546 0.000999 C 2.868320 -0.705884 0.013345 C -1.372603 -1.208505 0.015067 C -1.416410 1.247441 0.008630 C 4.076795 -1.440416 0.017559 C 4.180809 1.398909 -0.007756 C -3.484735 -0.017176 0.012287 C -2.775849 -1.240342 0.015608 C -2.821912 1.229411 0.009065 C 5.271925 -0.693120 0.008723 H 1.281449 2.119809 -0.007819 H -0.785050 -2.130786 0.017466 H -0.910678 2.219656 0.007357 H 4.083264 -2.533317 0.026828 H 4.273525 2.490764 -0.017763 H -3.329918 -2.182365 0.018389 H -3.410726 2.150117 0.007068 H 6.241920 -1.200831 0.011273