%chk=000104469.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000104469 0 1 O 4.101600 0.1439000 -0.5631000 O -5.882400 -0.3396000 -0.4018000 N -2.227700 -1.9600000E-02 -0.1389000 C -1.326200 0.3068000 0.9676000 C 0.1084000 0.2636000 0.5633000 C -3.613700 2.3600001E-02 0.2984000 C 0.7289000 1.411600 7.0699997E-02 C 0.8297000 -0.9248000 0.6776000 C -4.533400 -0.3509000 -0.8514000 C 2.070800 1.371100 -0.3078000 C 2.171700 -0.9653000 0.2992000 C 2.792300 0.1828000 -0.1935000 C 4.780000 -1.103300 -0.4202000 H -1.483400 -0.3937000 1.798400 H -1.559500 1.303600 1.365300 H -2.091000 0.6469000 -0.8989000 H -3.879200 1.022400 0.6669000 H -3.783000 -0.6731000 1.128800 H 0.1776000 2.343400 -2.5000000E-02 H 0.3566000 -1.826300 1.058400 H -4.313000 -1.357400 -1.222100 H -4.442500 0.3498000 -1.688300 H 2.548700 2.268400 -0.6913000 H 2.672500 -1.920600 0.4135000 H -6.081900 0.5618000 -9.6299998E-02 H 4.341700 -1.875400 -1.061600 H 4.832100 -1.415200 0.6284000 H 5.809700 -0.9519000 -0.7602000 %chk=000104469-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000104469 0 1 O 4.247652 0.045397 -0.248463 O -5.931477 -0.806758 -0.306156 N -2.253768 0.039118 -0.037656 C -1.364808 0.809415 0.861158 C 0.106080 0.581646 0.534792 C -3.691165 0.125670 0.273724 C 1.036051 1.652724 0.587283 C 0.585575 -0.706775 0.199706 C -4.490875 -0.865463 -0.593100 C 2.403662 1.445000 0.326231 C 1.953808 -0.934869 -0.070621 C 2.867128 0.147082 -0.003215 C 4.776478 -1.277140 -0.586965 H -1.580652 0.468688 1.895458 H -1.573551 1.908547 0.848013 H -2.051113 0.237500 -1.027093 H -4.115882 1.156787 0.136663 H -3.837842 -0.137422 1.338447 H 0.686490 2.662544 0.836086 H -0.131462 -1.532979 0.145338 H -4.192538 -1.898775 -0.359332 H -4.293441 -0.678525 -1.672732 H 3.125957 2.266118 0.365389 H 2.290669 -1.944029 -0.326971 H -6.255706 0.113267 -0.480533 H 4.326814 -1.665211 -1.522036 H 4.606650 -2.002079 0.233147 H 5.856663 -1.126877 -0.730460