%chk=000009427.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000009427 0 1 F 2.655700 -2.379800 -0.4728000 O -1.467500 -0.5015000 1.056600 O -1.648200 2.289500 -1.187500 O -3.731800 1.297800 0.2663000 O -2.103600 -3.157900 0.4191000 O 1.133600 2.687000 0.6479000 O 4.470000 -0.3643000 -0.2788000 N 0.5210000 0.4593000 0.2901000 N 2.793700 1.167700 0.1875000 C -1.614500 0.9228000 -0.8315000 C -2.992800 0.3728000 -0.5309000 C -0.8850000 0.6778000 0.4782000 C -2.671300 -0.8389000 0.3332000 C -2.400700 -2.100400 -0.4758000 C 1.451400 1.522900 0.3947000 C 0.9609000 -0.8273000 -3.9999999E-04 C 2.243100 -1.130400 -0.1917000 C 3.286000 -9.7099997E-02 -0.1041000 H -1.164600 0.3607000 -1.658700 H -3.585800 0.1534000 -1.422500 H -1.026300 1.510500 1.177700 H -3.446100 -1.034500 1.083200 H -1.567400 -1.988100 -1.173400 H -3.291600 -2.378000 -1.048800 H -0.7281000 2.589900 -1.279400 H -3.272000 1.425000 1.112800 H 0.2341000 -1.620600 -7.2200000E-02 H 3.476300 1.917300 0.2584000 H -1.948600 -3.953300 -0.1183000 %chk=000009427-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000009427 0 1 F 2.833293 -2.610591 0.365641 O -1.548457 -0.554184 1.189544 O -1.886922 2.544792 -0.567917 O -3.926333 1.173595 0.423320 O -1.643912 -3.095060 0.085448 O 0.885740 2.508629 -0.241522 O 4.539793 -0.432695 -0.437144 N 0.546651 0.262669 0.339119 N 2.687318 1.003312 -0.306609 C -1.671192 1.113485 -0.574349 C -3.045136 0.399566 -0.433018 C -0.882418 0.615162 0.680122 C -2.678707 -0.918672 0.275776 C -2.266476 -2.027981 -0.704668 C 1.350866 1.333915 -0.078490 C 1.036468 -1.034002 0.486712 C 2.353958 -1.308941 0.229057 C 3.316488 -0.284332 -0.188895 H -1.152592 0.785703 -1.497875 H -3.513617 0.229260 -1.424283 H -0.853005 1.398029 1.460128 H -3.485378 -1.263935 0.940062 H -1.557096 -1.642775 -1.470225 H -3.181299 -2.384031 -1.223959 H -0.980729 2.964453 -0.491734 H -3.671508 2.130286 0.301385 H 0.309624 -1.791097 0.803710 H 3.296505 1.771966 -0.607132 H -1.532027 -3.904226 -0.473302