%chk=000151359.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000151359 0 1 O 1.636700 3.513100 -1.0000000E-03 O 1.636400 -3.513200 -9.9999997E-05 O 3.537800 2.415200 6.0000003E-04 O 3.537600 -2.415500 -1.9999999E-04 N 2.283200 2.437600 -9.9999997E-05 N 2.282900 -2.437700 -9.9999997E-05 C -0.5196000 0.000000 -9.9999997E-05 C -1.966500 1.9999999E-04 0.000000 C 0.1781000 -1.207900 -3.9999999E-04 C 0.1783000 1.208000 3.9999999E-04 C 1.573100 1.208000 6.9999998E-04 C 1.573000 -1.208000 -1.9999999E-04 C 2.270500 0.000000 3.9999999E-04 C -2.664000 1.9999999E-04 -1.208000 C -2.663800 -9.9999997E-05 1.207900 C -4.058900 3.0000001E-04 -1.207900 C -4.058700 -1.9999999E-04 1.208100 C -4.756200 0.000000 9.9999997E-05 H -0.3839000 -2.140000 -6.9999998E-04 H -0.3838000 2.140100 5.0000002E-04 H 3.358000 -9.9999997E-05 5.0000002E-04 H -2.136000 3.9999999E-04 -2.158600 H -2.135700 -1.9999999E-04 2.158600 H -4.602200 3.9999999E-04 -2.148400 H -4.601800 -3.9999999E-04 2.148600 H -5.842300 0.000000 9.9999997E-05 %chk=000151359-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000151359 0 1 O 1.662862 3.576774 0.001491 O 1.662625 -3.576787 -0.001359 O 3.643181 2.443656 0.001617 O 3.643033 -2.443735 -0.001320 N 2.355406 2.488937 0.000591 N 2.355278 -2.489045 -0.000656 C -0.516378 -0.000011 -0.000001 C -2.017370 0.000025 0.000023 C 0.203528 -1.219600 -0.000311 C 0.203583 1.219549 0.000287 C 1.614434 1.196019 0.000256 C 1.614380 -1.196124 -0.000325 C 2.354449 -0.000069 -0.000039 C -2.733433 -0.000777 -1.224252 C -2.733397 0.000864 1.224320 C -4.146607 -0.000727 -1.222616 C -4.146571 0.000894 1.222725 C -4.856201 0.000104 0.000065 H -0.316249 -2.181463 -0.000509 H -0.316159 2.181430 0.000502 H 3.446867 -0.000095 -0.000051 H -2.186343 -0.001421 -2.173735 H -2.186278 0.001468 2.173787 H -4.690510 -0.001336 -2.173333 H -4.690445 0.001534 2.173459 H -5.951486 0.000134 0.000081