%chk=000114012.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000114012 1 1 O -1.426800 0.1859000 0.7470000 O -2.441700 -0.8181000 -1.088200 N 1.059700 1.437000 0.1499000 N -3.605500 0.6877000 0.2385000 C 0.9399000 9.6000001E-02 0.1657000 C 2.073900 -0.6962000 -0.1197000 C -0.2879000 -0.5051000 0.4602000 C 3.284700 -5.2700002E-02 -0.4094000 C 1.945400 -2.094000 -0.1024000 C 2.211100 2.063600 -0.1257000 C -0.3966000 -1.895100 0.4728000 C 3.354500 1.336300 -0.4126000 C -6.2300000E-02 2.341100 0.4331000 C 0.7161000 -2.687300 0.1925000 C -2.501500 -5.2900001E-02 -0.1303000 C -4.863100 0.6539000 -0.4713000 H 4.179300 -0.6287000 -0.6342000 H 2.800500 -2.731200 -0.3166000 H 2.230800 3.147600 -0.1213000 H -1.333000 -2.386900 0.7251000 H 4.288300 1.840800 -0.6364000 H -0.4229000 2.158400 1.448500 H 0.2584000 3.387600 0.3991000 H -0.8209000 2.217500 -0.3432000 H 0.6285000 -3.769900 0.2094000 H -3.527800 1.293200 1.049700 H -5.650600 0.3986000 0.2418000 H -4.843900 -7.8500003E-02 -1.281500 H -5.052000 1.650700 -0.8770000 %chk=000114012-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000114012 1 1 O -1.464290 0.284849 0.492145 O -2.700545 -0.766999 -1.272899 N 1.154598 1.545283 0.057983 N -3.724965 0.613344 0.347909 C 0.958721 0.145304 0.095082 C 2.136234 -0.703519 -0.031058 C -0.319989 -0.492165 0.250292 C 3.427633 -0.105725 -0.140571 C 2.000329 -2.125834 -0.047876 C 2.407283 2.078222 -0.049810 C -0.410349 -1.893058 0.223749 C 3.566293 1.283446 -0.140169 C 0.011583 2.517922 0.098129 C 0.740487 -2.710895 0.065642 C -2.704368 -0.042907 -0.261895 C -5.107317 0.561417 -0.162155 H 4.305932 -0.753228 -0.227806 H 2.899737 -2.740718 -0.149718 H 2.467382 3.167994 -0.071736 H -1.393292 -2.358049 0.332648 H 4.538936 1.771818 -0.220194 H -0.547906 2.402784 1.035162 H 0.423752 3.534930 0.028169 H -0.662670 2.337407 -0.750884 H 0.626823 -3.798120 0.047993 H -3.523844 1.118348 1.212707 H -5.778728 0.101304 0.583047 H -5.121660 -0.048859 -1.077782 H -5.471197 1.575005 -0.402602