%chk=000124316.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124316 0 1 O 2.217200 -0.4014000 -0.9840000 O 1.210900 2.162500 1.325700 O 3.371100 2.340300 -0.3136000 O 4.207900 -2.333000 -0.5729000 O -4.197800 -1.985400 0.4312000 N 7.1000000E-03 -0.4032000 -0.1204000 N -1.236200 -2.217000 0.3333000 N -3.936300 0.2725000 -7.2200000E-02 N -3.745300 2.605800 -0.5882000 C 1.202500 0.4039000 -0.3538000 C 1.831300 0.9615000 0.9140000 C 3.269800 1.155900 0.4769000 C 3.503600 -5.5599999E-02 -0.4202000 C 4.034900 -1.263000 0.3396000 C -1.294100 -1.1100000E-02 -0.1408000 C -1.1000000E-02 -1.749900 0.1717000 C -2.034200 -1.128000 0.1375000 C -1.789200 1.274500 -0.3949000 C -3.471900 -1.027900 0.1871000 C -3.140400 1.398700 -0.3557000 H 0.9282000 1.191400 -1.064900 H 1.777300 0.2389000 1.736300 H 3.969100 1.249900 1.312500 H 4.163800 0.1728000 -1.264600 H 5.002200 -1.043700 0.8010000 H 3.341600 -1.598200 1.117300 H 0.8938000 -2.335900 0.2591000 H 1.306300 2.811600 0.6080000 H 4.293000 2.409400 -0.6152000 H -1.139400 2.115700 -0.6062000 H 3.342800 -2.515500 -0.9782000 H -4.939800 0.4315000 -5.7300001E-02 H -4.754700 2.666400 -0.5524000 H -3.188400 3.425800 -0.7938000 %chk=000124316-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000124316 0 1 O 1.998474 -0.178449 -0.931965 O 1.743372 2.006541 2.036437 O 3.514198 2.419390 0.138602 O 3.782079 -2.282873 -1.406277 O -4.391519 -1.883026 0.708121 N -0.008896 -0.205846 0.373006 N -1.281851 -1.960410 1.110618 N -4.021489 0.181737 -0.321768 N -3.957540 2.283307 -1.411903 C 1.171049 0.567423 0.056956 C 2.124247 0.849393 1.261329 C 3.504071 1.008223 0.568159 C 3.448721 0.025063 -0.616228 C 4.046014 -1.360239 -0.308985 C -1.334813 0.111221 0.037859 C -0.044795 -1.472236 1.012302 C -2.106867 -0.985233 0.513823 C -1.875312 1.252579 -0.616841 C -3.545436 -1.010978 0.356456 C -3.265053 1.252670 -0.786661 H 0.855317 1.529322 -0.386717 H 2.129105 -0.007192 1.955418 H 4.347952 0.803677 1.254919 H 3.921265 0.441862 -1.525241 H 5.145676 -1.301095 -0.227788 H 3.637124 -1.749100 0.650857 H 0.855078 -1.981631 1.348872 H 2.128443 2.798337 1.567938 H 4.400352 2.675614 -0.213396 H -1.274746 2.090622 -0.974162 H 2.808911 -2.239267 -1.602854 H -5.038772 0.176680 -0.449337 H -4.969869 2.280675 -1.495247 H -3.448789 3.083440 -1.774405