%chk=000003124.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000003124 0 1 O 0.8233000 -2.589500 0.1943000 N -1.461500 -1.026700 0.3042000 N -1.149700 1.689100 0.1919000 N 1.246500 1.356200 -6.9100000E-02 N 2.229500 -0.7910000 -6.0400002E-02 N 3.525200 1.156500 -0.3082000 C -2.686900 -0.2471000 0.1617000 C -2.447000 1.200000 0.6380000 C -0.2097000 -0.4625000 0.1785000 C -3.0700000E-02 0.8753000 9.8600000E-02 C -3.149900 -0.2967000 -1.293700 C 0.9835000 -1.374300 0.1068000 C 2.327500 0.5107000 -0.1424000 H -3.468900 -0.6986000 0.7832000 H -3.241500 1.869300 0.2912000 H -2.457200 1.223700 1.734600 H -1.520600 -2.039600 0.3066000 H -0.9869000 2.689600 0.1550000 H -2.407800 0.1369000 -1.972900 H -3.318900 -1.332000 -1.610100 H -4.088500 0.2525000 -1.421100 H 1.354500 2.362200 -0.1303000 H 3.577200 2.167300 -0.3697000 H 4.395200 0.6397000 -0.3758000 %chk=000003124-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000003124 0 1 O 0.851435 -2.619199 0.339387 N -1.461391 -1.084089 0.291539 N -1.181579 1.767436 0.140842 N 1.217611 1.440902 -0.067254 N 2.238629 -0.735480 0.002960 N 3.568849 1.181471 -0.248664 C -2.678198 -0.280283 0.147638 C -2.376496 1.137011 0.753450 C -0.211515 -0.486258 0.165867 C -0.077747 0.886796 0.037900 C -3.156577 -0.172946 -1.322978 C 0.987407 -1.358056 0.192076 C 2.319886 0.589883 -0.105351 H -3.481735 -0.745865 0.752841 H -3.242392 1.804549 0.609196 H -2.197102 1.026012 1.837416 H -1.459015 -2.102871 0.376406 H -1.373297 2.359549 -0.676135 H -2.379372 0.298144 -1.952558 H -3.357283 -1.175810 -1.738563 H -4.085352 0.425240 -1.396337 H 1.320040 2.444761 0.094417 H 3.691939 2.128424 -0.597313 H 4.359957 0.541678 -0.245881