%chk=000226745.chk %nprocshared=4 %mem=7500MB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000226745 0 1 O -3.700000 0.4332000 9.9999997E-05 C 0.3483000 -0.1553000 1.9999999E-04 C 0.3244000 -2.525500 9.9999997E-05 C 1.797200 -2.031400 -3.0000001E-04 C -0.4702000 -1.253500 0.000000 C 1.663600 -0.5374000 1.9999999E-04 C -9.5899999E-02 1.168600 9.9999997E-05 C -1.842400 -1.071500 -1.9999999E-04 C 2.648300 0.4354000 0.000000 C -1.490900 1.354400 0.000000 C 0.9046000 2.158300 -9.9999997E-05 C -2.350400 0.2382000 -9.9999997E-05 C 2.263500 1.786500 -9.9999997E-05 H 0.1147000 -3.121600 0.8942000 H 0.1144000 -3.122200 -0.8935000 H 2.323900 -2.380100 -0.8946000 H 2.324800 -2.380700 0.8931000 H -2.508400 -1.929000 -1.9999999E-04 H 3.699500 0.1666000 -9.9999997E-05 H -1.908600 2.358400 0.000000 H 0.6386000 3.212100 -1.9999999E-04 H 3.027600 2.559800 -3.0000001E-04 H -4.143200 -0.4326000 9.9999997E-05 %chk=000226745-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000226745 0 1 O -3.755555 0.514548 -0.000004 C 0.364854 -0.177950 -0.000044 C 0.343056 -2.579631 0.000092 C 1.839974 -2.072605 -0.000333 C -0.503509 -1.307223 -0.000013 C 1.740317 -0.546298 -0.000139 C -0.102894 1.174912 -0.000027 C -1.882132 -1.101971 -0.000007 C 2.707238 0.461724 -0.000145 C -1.520911 1.370382 -0.000015 C 0.912108 2.192135 -0.000035 C -2.370603 0.254239 -0.000022 C 2.268682 1.831791 -0.000079 H 0.132758 -3.204927 0.888000 H 0.132359 -3.205477 -0.887327 H 2.386682 -2.442215 -0.887972 H 2.387347 -2.442526 0.886760 H -2.593034 -1.939437 0.000010 H 3.778905 0.233550 -0.000210 H -1.962043 2.371804 -0.000003 H 0.625554 3.250243 -0.000010 H 3.027048 2.624131 -0.000078 H -4.272799 -0.328498 0.000001