%chk=000086285.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000086285 0 1 O 1.900100 -0.6687000 7.4800000E-02 O 3.938400 0.1163000 -0.6776000 C -1.001900 0.1601000 0.1523000 C -0.7553000 1.698800 0.2562000 C -2.504100 -0.2201000 9.4499998E-02 C -0.2347000 -0.4687000 -1.042500 C -2.777100 -1.727200 6.7800000E-02 C -1.453100 2.319900 1.473100 C -1.139500 2.475100 -1.006200 C 1.262100 -0.1640000 -1.088200 C -4.269700 -2.021000 0.1135000 C 3.250100 -0.4589000 0.1545000 C 3.784500 -1.041400 1.427700 H -0.5969000 -0.2883000 1.070800 H 0.3174000 1.855500 0.4242000 H -2.966400 0.2357000 -0.7891000 H -3.015900 0.1970000 0.9691000 H -0.3255000 -1.559100 -0.9785000 H -0.6960000 -0.1671000 -1.989800 H -2.377200 -2.176800 -0.8464000 H -2.285500 -2.211200 0.9192000 H -2.539400 2.360000 1.346000 H -1.230000 1.753500 2.383100 H -1.105400 3.347300 1.628600 H -0.5799000 2.135600 -1.882000 H -2.207600 2.384800 -1.226600 H -0.9194000 3.541200 -0.8799000 H 1.688100 -0.6648000 -1.966600 H 1.453100 0.9085000 -1.193400 H -4.784300 -1.572600 -0.7423000 H -4.444100 -3.101300 8.7399997E-02 H -4.719400 -1.627100 1.030500 H 3.604900 -2.119200 1.445800 H 3.309100 -0.5571000 2.284400 H 4.862900 -0.8664000 1.482500 %chk=000086285-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000086285 0 1 O 1.817465 -0.864693 0.022202 O 4.024562 -0.160176 -0.232497 C -0.936532 0.443890 -0.062811 C -0.944066 2.009188 0.003469 C -2.365254 -0.170855 -0.086207 C -0.098711 -0.085947 -1.261839 C -2.424177 -1.631144 0.422745 C -1.353723 2.515547 1.408407 C -1.826172 2.666604 -1.087619 C 1.416017 0.046260 -1.096390 C -3.838565 -2.241600 0.319192 C 3.175719 -0.870058 0.353806 C 3.439374 -1.835357 1.490545 H -0.437786 0.085484 0.863006 H 0.100338 2.349459 -0.167247 H -2.772282 -0.129707 -1.118525 H -3.049091 0.438856 0.538040 H -0.330833 -1.153495 -1.438648 H -0.385332 0.453869 -2.187414 H -1.709980 -2.259854 -0.145768 H -2.083054 -1.657840 1.477616 H -2.389548 2.218061 1.659853 H -0.685650 2.107628 2.190067 H -1.304670 3.619371 1.460135 H -1.549467 2.334073 -2.105485 H -2.895038 2.429541 -0.933699 H -1.721666 3.767179 -1.057634 H 1.963260 -0.266006 -2.004723 H 1.738629 1.071753 -0.840123 H -4.186627 -2.259391 -0.731175 H -3.861570 -3.279075 0.700628 H -4.569866 -1.650597 0.902862 H 3.119489 -2.853159 1.207931 H 2.855613 -1.543626 2.380870 H 4.511591 -1.835884 1.733331