%chk=000104653.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000104653 0 1 O 4.8599999E-02 -1.024300 -0.4635000 O 1.589000 -2.211500 0.7773000 O 4.178500 1.855000 -0.7215000 C -2.242200 -1.663400 -0.9019000 C -0.9318000 -2.037800 -0.2182000 C -2.818100 -0.3729000 -0.3713000 C 2.190100 -9.3099996E-02 -0.2617000 C 3.586300 -0.2406000 0.3366000 C 1.274500 -1.243100 9.9200003E-02 C -3.691100 -0.4098000 0.7046000 C -2.464100 0.8261000 -0.9698000 C 4.505700 0.9277000 1.7300000E-02 C -4.223300 0.7827000 1.194700 C -2.996300 2.018600 -0.4797000 C -3.875900 1.997000 0.6027000 C 5.870400 0.8895000 0.6552000 H -2.078600 -1.560500 -1.982400 H -2.970900 -2.473800 -0.7774000 H -0.5719000 -2.990500 -0.6236000 H -1.080700 -2.143100 0.8633000 H 1.731200 0.8345000 0.1001000 H 2.261300 -4.1600000E-02 -1.354300 H 4.059400 -1.155000 -3.9200000E-02 H 3.512800 -0.3217000 1.427400 H -3.965900 -1.350300 1.173500 H -1.780400 0.8548000 -1.813400 H -4.907900 0.7660000 2.037700 H -2.725700 2.964100 -0.9407000 H -4.290200 2.925500 0.9845000 H 6.443200 1.771200 0.3548000 H 6.402900 -6.6000000E-03 0.3270000 H 5.766500 0.8901000 1.743000 %chk=000104653-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000104653 0 1 O 0.087687 -1.036201 -0.654584 O 1.606118 -2.214784 0.660187 O 4.851539 0.672956 -1.470254 C -2.260360 -1.600744 -1.003279 C -0.950189 -2.065777 -0.348332 C -2.863444 -0.360664 -0.356881 C 2.308766 -0.147262 -0.505731 C 3.511010 -0.036814 0.445215 C 1.342947 -1.237980 -0.081549 C -3.847182 -0.482055 0.657964 C -2.439913 0.938261 -0.739441 C 4.753977 0.559966 -0.218689 C -4.393506 0.664024 1.279874 C -2.984775 2.086346 -0.121880 C -3.963636 1.953537 0.890790 C 5.873325 0.999578 0.716109 H -2.065843 -1.425712 -2.077735 H -2.972387 -2.446005 -0.935804 H -0.607783 -3.033045 -0.760067 H -1.040245 -2.160888 0.748472 H 1.762894 0.806895 -0.599723 H 2.683279 -0.380422 -1.523132 H 3.777415 -1.051399 0.811290 H 3.264130 0.543050 1.355407 H -4.192801 -1.479428 0.959110 H -1.676330 1.043646 -1.518307 H -5.155438 0.551566 2.059662 H -2.648997 3.082856 -0.431085 H -4.388872 2.843857 1.367663 H 6.812901 1.127866 0.156613 H 6.016437 0.277786 1.540502 H 5.604677 1.970191 1.177914