%chk=000142569.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000142569 0 1 O 0.000000 0.000000 -1.451400 C 1.094000 9.9999997E-05 -0.6282000 C -1.094000 -9.9999997E-05 -0.6282000 C 1.532500 1.235500 -0.1394000 C -1.532800 1.235300 -0.1397000 C 1.532800 -1.235300 -0.1395000 C -1.532400 -1.235500 -0.1394000 C 0.6796000 2.441000 -0.3385000 C -0.6802000 2.440900 -0.3389000 C 0.6801000 -2.440900 -0.3389000 C -0.6796000 -2.441000 -0.3389000 C 2.677400 1.227100 0.6502000 C -2.677900 1.226800 0.6498000 C 2.677800 -1.226800 0.6500000 C -2.677200 -1.227100 0.6505000 C 3.265500 3.0000001E-04 1.010200 C -3.265400 -3.0000001E-04 1.010300 H 1.209900 3.384200 -0.4380000 H -1.210700 3.384000 -0.4386000 H 1.210600 -3.383900 -0.4388000 H -1.210000 -3.384100 -0.4387000 H 3.093200 2.151200 1.042700 H -3.094000 2.150800 1.042100 H 3.093800 -2.150800 1.042300 H -3.092900 -2.151200 1.043100 H 4.148500 3.9999999E-04 1.644800 H -4.148400 -3.0000001E-04 1.645100 %chk=000142569-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000142569 0 1 O -0.000011 0.000039 -1.499137 C 1.076526 0.000128 -0.562553 C -1.076528 -0.000081 -0.562528 C 1.549190 1.259448 -0.109738 C -1.549426 1.259145 -0.109701 C 1.549434 -1.259112 -0.109778 C -1.549183 -1.259415 -0.109744 C 0.693585 2.449666 -0.248934 C -0.694056 2.449530 -0.248915 C 0.694062 -2.449492 -0.249005 C -0.693581 -2.449628 -0.248990 C 2.793131 1.236447 0.583530 C -2.793344 1.235900 0.583598 C 2.793370 -1.235890 0.583492 C -2.793111 -1.236436 0.583545 C 3.418588 0.000333 0.879785 C -3.418559 -0.000332 0.879860 H 1.197796 3.424716 -0.213468 H -1.198458 3.424481 -0.213434 H 1.198463 -3.424446 -0.213570 H -1.197790 -3.424680 -0.213546 H 3.242442 2.175237 0.927436 H -3.242827 2.174603 0.927520 H 3.242865 -2.174604 0.927370 H -3.242418 -2.175237 0.927430 H 4.378424 0.000419 1.407689 H -4.378383 -0.000438 1.407785