%chk=000109100.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109100 0 1 O -5.370500 8.1200004E-02 0.6170000 N 2.745400 -0.6629000 5.5100001E-02 N -2.809400 -0.2240000 0.6000000 N 3.549100 0.3359000 0.4544000 N -3.302400 0.2829000 -0.4331000 N 5.668000 1.393800 -5.1000002E-03 N 4.971300 -0.3946000 -1.235100 N -5.222500 0.9681000 -1.476300 C 1.346000 -0.5521000 0.1923000 C 0.7879000 0.6046000 0.7369000 C 0.5200000 -1.599100 -0.2165000 C -1.421900 -0.3329000 0.4639000 C -0.5960000 0.7141000 0.8728000 C -0.8640000 -1.489500 -8.0700003E-02 C 4.671000 0.4641000 -0.2035000 C -4.672000 0.4105000 -0.3421000 H 1.400300 1.439900 1.065600 H 0.9425000 -2.505600 -0.6424000 H -1.021600 1.618800 1.299100 H -1.499100 -2.311200 -0.4015000 H 3.120200 -1.531300 -0.3049000 H 5.590700 2.096700 0.7219000 H 6.504700 1.404600 -0.5779000 H 5.846600 -0.3077000 -1.740800 H 4.329700 -1.100700 -1.572900 H -4.645200 1.238900 -2.265300 H -6.221600 1.124700 -1.556000 %chk=000109100-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000109100 0 1 O -5.613288 -0.794210 -0.337794 N 2.783220 -0.601807 -0.085015 N -2.854299 -0.641912 -0.224303 N 3.528576 0.589750 0.058298 N -3.510628 0.490611 -0.299262 N 5.679787 1.494373 0.223384 N 5.448272 -0.658841 -0.738134 N -5.556564 1.546336 -0.386051 C 1.396250 -0.560743 -0.098003 C 0.692471 0.685360 -0.172894 C 0.659916 -1.786337 -0.059352 C -1.446269 -0.526161 -0.184258 C -0.703110 0.696759 -0.214841 C -0.737597 -1.761554 -0.104195 C 4.829827 0.464089 -0.176579 C -4.974686 0.289312 -0.339501 H 1.276136 1.608801 -0.189873 H 1.193118 -2.743121 0.006642 H -1.258085 1.638844 -0.270611 H -1.326041 -2.684448 -0.076928 H 3.250602 -1.501632 0.091040 H 5.257274 2.226240 0.793016 H 6.470140 1.749941 -0.367598 H 6.438270 -0.835624 -0.588917 H 4.948317 -1.214804 -1.428531 H -4.955111 2.367600 -0.385779 H -6.569296 1.630377 -0.419059