%chk=000119399.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000119399 0 1 O 3.979800 -0.8462000 0.4122000 O 3.047100 1.090700 1.170200 O -3.514500 -1.316700 0.5519000 O -3.523400 1.354000 0.2322000 N 1.162500 1.056900 -0.7278000 C 2.122200 -2.4000000E-02 -0.7596000 C 1.259000 -1.291100 -0.5923000 C -0.1290000 -0.7737000 -0.3036000 C -0.1123000 0.6684000 -0.4337000 C -1.209600 -1.487200 2.0199999E-02 C -1.204900 1.419100 -0.2662000 C 3.073500 0.1611000 0.3775000 C -2.474300 -0.7560000 0.2428000 C -2.476200 0.7449000 7.5999998E-02 H 2.677100 -1.9600000E-02 -1.703400 H 1.611400 -1.950400 0.2081000 H 1.251400 -1.857600 -1.531100 H 1.409200 2.032300 -0.8359000 H -1.197700 -2.565300 0.1160000 H -1.195700 2.497800 -0.3621000 H 4.614700 -0.7425000 1.152800 %chk=000119399-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000119399 0 1 O 4.145451 -0.947428 0.187002 O 3.698769 1.276793 0.718765 O -3.723158 -1.424294 0.070417 O -3.714129 1.407773 0.054615 N 1.138160 1.086366 -0.435372 C 2.087140 -0.018330 -0.635164 C 1.263668 -1.297246 -0.265016 C -0.174741 -0.805516 -0.228344 C -0.173162 0.675821 -0.276348 C -1.336994 -1.512237 -0.123900 C -1.323709 1.437669 -0.174087 C 3.362662 0.204932 0.176010 C -2.633069 -0.793447 -0.028283 C -2.614367 0.776168 -0.039170 H 2.405885 -0.080842 -1.698331 H 1.567472 -1.678067 0.726799 H 1.426153 -2.111998 -0.987861 H 1.453171 2.055058 -0.384876 H -1.368460 -2.606694 -0.084954 H -1.312997 2.531701 -0.204091 H 4.996554 -0.781283 0.676388