%chk=000109035.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109035 0 1 O 1.0000000E-03 -2.333400 -0.8835000 O 3.0600000E-02 -1.891200 1.341000 C -7.1999999E-03 -2.7500000E-02 -0.2219000 C -1.267900 0.6589000 0.3394000 C 1.263700 0.6601000 0.3101000 C -2.560900 5.5100001E-02 -0.2233000 C 2.545200 6.6299997E-02 -0.2867000 C -3.828900 0.7637000 0.2666000 C 3.819900 0.7719000 0.1879000 C -5.117700 0.1809000 -0.3197000 C 5.136000 0.2105000 -0.3590000 C 6.0000001E-03 -1.494200 0.1826000 C -6.381100 0.8933000 0.1714000 C 6.375300 0.9175000 0.1905000 C -7.668400 0.3025000 -0.3828000 C 7.654300 0.2656000 -0.3125000 H -2.0099999E-02 4.1200001E-02 -1.317000 H -1.284200 0.5832000 1.434100 H -1.236500 1.727400 9.3199998E-02 H 1.222200 1.729800 6.9899999E-02 H 1.307100 0.5806000 1.403800 H -2.530100 9.9200003E-02 -1.319000 H -2.628200 -1.004600 4.9699999E-02 H 2.495700 0.1224000 -1.381100 H 2.622400 -0.9958000 -2.6699999E-02 H -3.871500 0.7054000 1.361200 H -3.767400 1.828000 8.3999997E-03 H 3.851400 0.7306000 1.284300 H 3.754800 1.834400 -7.8900002E-02 H -5.075000 0.2383000 -1.414400 H -5.180900 -0.8831000 -6.0600001E-02 H 5.129500 0.2829000 -1.453600 H 5.190900 -0.8575000 -0.1137000 H -6.417800 0.8521000 1.266600 H -6.330100 1.953200 -0.1049000 H 6.362100 1.972600 -0.1058000 H 6.365100 0.8873000 1.286200 H -7.772400 -0.7476000 -9.2000000E-02 H -8.534700 0.8503000 7.9999998E-04 H -7.684600 0.3596000 -1.475700 H 7.709000 0.3015000 -1.405200 H 7.711000 -0.7817000 7.9999998E-04 H 8.528500 0.7878000 8.8900000E-02 H 1.5699999E-02 -3.274700 -0.6080000 %chk=000109035-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000109035 0 1 O -0.002132 -2.445845 -0.923179 O -0.001266 -2.030409 1.357960 C -0.001469 -0.119168 -0.218863 C -1.285449 0.571391 0.323923 C 1.281921 0.571388 0.325231 C -2.601497 0.004569 -0.252625 C 2.598384 0.005504 -0.251237 C -3.848160 0.769261 0.246322 C 3.844915 0.767771 0.251778 C -5.174044 0.207183 -0.313626 C 5.171096 0.207181 -0.309043 C -0.001698 -1.584805 0.187587 C -6.420425 0.980117 0.175051 C 6.417489 0.976608 0.185042 C -7.741306 0.412019 -0.387552 C 7.738601 0.410194 -0.378669 H -0.000990 -0.076947 -1.324078 H -1.293586 0.485119 1.428509 H -1.214895 1.651294 0.083311 H 1.211162 1.651508 0.085699 H 1.289563 0.483981 1.429736 H -2.566612 0.040174 -1.361207 H -2.699918 -1.065646 0.022372 H 2.565069 0.044477 -1.359759 H 2.695762 -1.065587 0.020714 H -3.876647 0.738428 1.355491 H -3.757951 1.840265 -0.032946 H 3.872283 0.732497 1.360833 H 3.755512 1.839900 -0.023350 H -5.143084 0.228222 -1.423240 H -5.270929 -0.860720 -0.026200 H 5.141661 0.233433 -1.418581 H 5.266531 -0.862144 -0.026453 H -6.450020 0.958990 1.283650 H -6.322992 2.047079 -0.112554 H 6.321350 2.045103 -0.097293 H 6.445639 0.949879 1.293567 H -7.878888 -0.643518 -0.085672 H -8.615828 0.983416 -0.025546 H -7.748589 0.447161 -1.493447 H 7.747375 0.450769 -1.484367 H 7.874957 -0.646926 -0.081853 H 8.613116 0.979092 -0.012711 H -0.002209 -3.389461 -0.601325