%chk=000086626.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000086626 0 1 O 0.7094000 -1.235100 0.2370000 O 1.660700 1.740000 1.070100 O -1.957600 -2.260900 0.4309000 C 1.809400 -0.3751000 -0.1917000 C 1.315200 1.096700 -0.1469000 C -0.1499000 0.8679000 -0.1662000 C -0.4170000 -0.4685000 8.5500002E-02 C 2.990600 -0.6530000 0.7411000 C 2.177500 -0.7917000 -1.625800 C -1.180300 1.774500 -0.3433000 C -1.707700 -0.9521000 0.1782000 C -2.494300 1.306100 -0.2650000 C -2.756200 -4.8900001E-02 -4.0000002E-03 H 1.664100 1.696300 -0.9937000 H 2.716900 -0.4888000 1.789300 H 3.298100 -1.703200 0.6736000 H 3.853800 -2.6000001E-02 0.4963000 H 3.025800 -0.2113000 -2.003100 H 2.437300 -1.855800 -1.666600 H 1.333800 -0.6547000 -2.311500 H -0.9792000 2.823700 -0.5312000 H 2.606900 1.959100 1.025900 H -3.322200 1.996500 -0.4008000 H -3.786800 -0.3893000 5.6600001E-02 H -1.106100 -2.722700 0.5232000 %chk=000086626-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000086626 0 1 O 0.707858 -1.270449 0.204015 O 1.683024 1.837186 1.058290 O -2.009859 -2.317099 0.425700 C 1.892312 -0.394243 -0.214189 C 1.338309 1.090210 -0.166975 C -0.162739 0.893950 -0.184651 C -0.434616 -0.461168 0.063800 C 3.014368 -0.685162 0.781238 C 2.231722 -0.794227 -1.660349 C -1.220638 1.811686 -0.334571 C -1.747615 -0.962068 0.171227 C -2.547580 1.323511 -0.234827 C -2.811126 -0.047415 0.015908 H 1.714483 1.645584 -1.051290 H 2.710288 -0.393488 1.799143 H 3.252715 -1.762380 0.774351 H 3.933950 -0.133330 0.509570 H 3.105213 -0.223288 -2.026511 H 2.471721 -1.869566 -1.713562 H 1.378686 -0.594656 -2.333243 H -1.023783 2.873984 -0.507880 H 2.646125 2.074346 1.031679 H -3.390887 2.012364 -0.349350 H -3.836789 -0.421247 0.093303 H -1.152942 -2.809332 0.507072