%chk=000114915.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000114915 0 1 O -2.798400 0.4832000 -0.4030000 O 2.176500 1.582200 0.3349000 O 3.001000 -0.2971000 -0.6292000 N 0.8942000 -1.798400 0.1293000 C -0.3833000 0.3176000 -0.1844000 C 0.8206000 -0.3779000 0.4699000 C -1.748000 -0.1905000 0.2746000 C 2.111900 0.2670000 -4.6000001E-03 C -4.074400 1.3900000E-02 1.2400000E-02 H -0.3198000 0.2304000 -1.278200 H -0.3445000 1.398300 6.0000001E-03 H 0.7740000 -0.2827000 1.560400 H -1.831000 -1.265300 7.5999998E-02 H -1.851100 -3.0300001E-02 1.354500 H 1.733300 -2.211100 0.5345000 H 0.9690000 -1.912900 -0.8806000 H -4.840200 0.5675000 -0.5376000 H -4.218200 0.1895000 1.082900 H -4.184100 -1.051100 -0.2136000 H 3.007500 1.999600 2.2500001E-02 %chk=000114915-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000114915 0 1 O -2.779120 0.477543 -0.402492 O 2.285240 1.587967 0.560885 O 2.938726 -0.082237 -0.918020 N 0.858174 -1.812462 0.131424 C -0.383626 0.311621 -0.259147 C 0.845100 -0.370326 0.406291 C -1.702488 -0.225443 0.305023 C 2.125421 0.346313 -0.070485 C -4.101037 0.015498 0.010863 H -0.362044 0.136260 -1.352182 H -0.335904 1.402766 -0.095853 H 0.774969 -0.215898 1.499725 H -1.774624 -1.321335 0.147462 H -1.769439 -0.025429 1.399810 H 1.535155 -2.334458 0.698518 H 0.985996 -2.019351 -0.866694 H -4.831000 0.590998 -0.580229 H -4.278531 0.198587 1.092997 H -4.236255 -1.069146 -0.191194 H 3.100286 2.040432 0.209997