%chk=000107588.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107588 0 1 O 3.328300 0.4221000 -8.3099999E-02 C -0.4212000 0.3022000 0.1207000 C -1.411800 1.278100 1.1900000E-02 C -0.7693000 -1.048500 0.1170000 C 0.9751000 0.6931000 0.2372000 C -2.750700 0.9033000 -0.1003000 C -2.108200 -1.423300 4.6000001E-03 C -3.098900 -0.4473000 -0.1041000 C 2.034300 -5.5000000E-03 -0.2171000 C 4.222600 -0.6741000 1.3200000E-02 H -1.158400 2.335500 1.1600000E-02 H -2.4100000E-02 -1.833700 0.2141000 H 1.161300 1.649100 0.7226000 H -3.522200 1.663100 -0.1851000 H -2.380100 -2.474800 4.9999999E-03 H -4.141400 -0.7392000 -0.1908000 H 1.943800 -0.9479000 -0.7414000 H 4.246900 -1.244500 -0.9220000 H 3.957800 -1.328600 0.8514000 H 5.226900 -0.2796000 0.1944000 %chk=000107588-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000107588 0 1 O 3.345008 0.369016 0.100137 C -0.445075 0.260683 0.017029 C -1.449441 1.272582 0.047205 C -0.876829 -1.098172 -0.057901 C 0.967387 0.669344 0.065986 C -2.821446 0.947348 0.004216 C -2.247107 -1.422388 -0.101212 C -3.230976 -0.403748 -0.070548 C 2.050211 -0.157927 0.035896 C 4.429613 -0.617322 0.020135 H -1.141639 2.324152 0.105315 H -0.139717 -1.909473 -0.080913 H 1.170359 1.746173 0.134231 H -3.570386 1.747200 0.029242 H -2.553627 -2.473485 -0.158482 H -4.295429 -0.660618 -0.103906 H 1.978599 -1.253517 -0.034110 H 4.415040 -1.147955 -0.951770 H 4.364121 -1.351161 0.847206 H 5.362034 -0.041231 0.112045