%chk=000002741.chk %nprocshared=4 %mem=4GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000002741 0 1 O -0.6147000 1.073300 1.9999999E-04 O 0.5236000 -2.842700 -6.9999998E-04 O -3.065700 1.751000 -5.0000002E-04 O -3.865400 -0.3915000 -9.9999997E-05 C 1.176400 -0.5695000 5.0000002E-04 C 0.7194000 0.7491000 5.0000002E-04 C 0.1920000 -1.665200 3.9999999E-04 C 2.546500 -0.8414000 9.9999997E-05 C 1.632300 1.803800 9.9999997E-05 C -1.527800 3.9999999E-02 9.9999997E-05 C -1.229800 -1.265100 1.9999999E-04 C 3.457000 0.2161000 -3.9999999E-04 C 3.001400 1.535400 -3.0000001E-04 C -2.945200 0.4067000 0.000000 H 2.920200 -1.861300 0.000000 H 1.286400 2.833900 0.000000 H -1.970200 -2.056400 9.9999997E-05 H 4.524000 1.2100000E-02 -7.9999998E-04 H 3.714400 2.354800 -7.9999998E-04 H -4.004100 2.037100 -6.9999998E-04 %chk=000002741-Freq.chk %nprocshared=4 %mem=4GB #p freq=noraman PBEPBE/SDD 000002741 0 1 O -0.626384 1.066317 -0.000565 O 0.560914 -2.957151 0.000223 O -3.126637 1.838971 0.000087 O -3.945155 -0.340914 0.000497 C 1.194455 -0.609745 -0.000140 C 0.746655 0.739508 -0.000379 C 0.214779 -1.731293 -0.000092 C 2.594003 -0.850475 0.000068 C 1.642864 1.829084 -0.000442 C -1.547821 0.023987 -0.000467 C -1.192968 -1.303886 -0.000213 C 3.502659 0.220534 0.000022 C 3.023954 1.560778 -0.000236 C -2.979582 0.457044 -0.000667 H 2.925740 -1.894289 0.000248 H 1.247726 2.848752 -0.000642 H -1.980789 -2.061676 -0.000126 H 4.580197 0.027776 0.000182 H 3.733645 2.394915 -0.000271 H -4.097556 2.061962 0.000812