%chk=000135938.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000135938 0 1 O 1.704200 -2.257500 0.2477000 O 1.089600 2.022700 0.6968000 N 1.934700 4.1700002E-02 -0.2212000 C -0.4706000 0.4469000 0.1019000 C 0.9219000 0.9029000 0.2164000 C 1.705300 -1.287500 -0.7882000 C 3.324900 0.4667000 -0.1180000 C -1.049600 -0.2473000 1.154100 C -1.184100 0.7185000 -1.056500 C -2.371200 -0.6799000 1.045600 C -2.505800 0.2861000 -1.164800 C -3.099300 -0.4132000 -0.1137000 H 0.7461000 -1.339800 -1.306700 H 2.495300 -1.525800 -1.507700 H 3.756600 0.5024000 -1.122500 H 3.874000 -0.2560000 0.4921000 H 3.412600 1.455400 0.3394000 H -0.4892000 -0.4595000 2.060400 H -0.7291000 1.262200 -1.879800 H -2.833200 -1.224500 1.863800 H -3.072800 0.4935000 -2.067600 H -4.128300 -0.7500000 -0.1983000 H 2.516300 -2.123900 0.7643000 %chk=000135938-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000135938 0 1 O 1.791052 -2.186452 0.967167 O 1.165555 2.128153 -0.411151 N 1.996630 -0.037858 -0.240737 C -0.491689 0.386929 -0.211787 C 0.930584 0.883604 -0.288424 C 1.857674 -1.487071 -0.330371 C 3.374820 0.496929 -0.202790 C -0.920777 -0.669344 0.636208 C -1.457259 1.117177 -0.956019 C -2.293041 -0.998294 0.713696 C -2.822539 0.774091 -0.887378 C -3.245303 -0.287491 -0.051447 H 0.914086 -1.753359 -0.824582 H 2.712168 -1.875311 -0.919305 H 3.915301 0.266834 -1.140646 H 3.938613 0.072927 0.649793 H 3.315106 1.589579 -0.090662 H -0.193993 -1.220588 1.243078 H -1.117279 1.958991 -1.567911 H -2.615620 -1.808165 1.377320 H -3.556618 1.336996 -1.474325 H -4.307538 -0.549995 0.009706 H 2.658369 -2.104182 1.438067