%chk=000031979.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000031979 0 1 O 2.445700 1.662300 0.5379000 N 1.126300 -0.1326000 4.1200001E-02 C -1.093200 -0.5792000 6.6999998E-03 C -0.1453000 0.4535000 -9.1000004E-03 C -0.3850000 -1.801200 6.6600002E-02 C 0.9547000 -1.504600 8.6099997E-02 C -2.467500 -0.2637000 -3.5500001E-02 C -0.5543000 1.800200 -6.7199998E-02 C -0.9672000 -3.158200 0.1028000 C 2.361200 0.5461000 4.6300001E-02 C -1.922300 2.089000 -0.1084000 C -2.868200 1.072300 -9.2600003E-02 C 3.515000 -0.1838000 -0.5750000 H 1.810300 -2.164700 0.1383000 H 0.1669000 2.610700 -8.7300003E-02 H -3.217200 -1.050200 -2.4000000E-02 H -0.1907000 -3.929100 0.1465000 H -1.608400 -3.278500 0.9822000 H -1.571300 -3.341800 -0.7917000 H -2.247400 3.125200 -0.1550000 H -3.926500 1.316200 -0.1256000 H 3.883200 -0.9559000 0.1053000 H 4.325100 0.5268000 -0.7654000 H 3.224300 -0.6246000 -1.532700 %chk=000031979-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000031979 0 1 O 2.385315 1.874626 -0.278902 N 1.124053 -0.083226 -0.163657 C -1.122822 -0.564522 -0.010179 C -0.175011 0.507095 -0.092378 C -0.382879 -1.826187 -0.030454 C 0.957362 -1.500804 -0.121363 C -2.505479 -0.272402 0.072245 C -0.569719 1.860262 -0.095337 C -0.982241 -3.204309 0.032914 C 2.351291 0.613284 -0.253458 C -1.955590 2.127024 -0.012663 C -2.912489 1.078541 0.070291 C 3.611326 -0.240199 -0.316143 H 1.818545 -2.162598 -0.162121 H 0.169271 2.659991 -0.159984 H -3.244507 -1.078710 0.135802 H -0.205812 -3.987327 -0.002619 H -1.562985 -3.346277 0.964215 H -1.676222 -3.378122 -0.811361 H -2.296993 3.168080 -0.012709 H -3.977816 1.326427 0.133690 H 3.722775 -0.862113 0.590693 H 4.473134 0.437880 -0.392781 H 3.605690 -0.912212 -1.193344