%chk=000113863.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113863 0 1 O 2.846400 1.885400 -6.4800002E-02 C 1.302900 7.0500001E-02 0.4007000 C 1.526300 -1.391700 1.0200000E-02 C 0.1378000 0.7069000 -0.3298000 C 3.004000 -1.630200 0.2931000 C 3.694600 -0.3675000 -0.2074000 C 2.638900 0.6825000 3.1700000E-02 C -1.195400 8.9699998E-02 9.6000001E-02 C -2.370900 0.7637000 -0.6181000 C -3.740000 0.1640000 -0.2474000 C -3.764800 -1.326400 -0.5960000 C -4.079900 0.3530000 1.231900 H 1.192600 0.1597000 1.488300 H 1.323200 -1.556200 -1.055500 H 0.8928000 -2.074100 0.5855000 H 0.2673000 0.6119000 -1.415600 H 0.1201000 1.783800 -0.1188000 H 3.382500 -2.529500 -0.2015000 H 3.164600 -1.744600 1.372200 H 3.902000 -0.4246000 -1.279700 H 4.605100 -0.1514000 0.3554000 H -1.177300 -0.9791000 -0.1360000 H -1.302800 0.1905000 1.181400 H -2.374500 1.835500 -0.3829000 H -2.228600 0.6838000 -1.703500 H -4.503500 0.6761000 -0.8460000 H -3.145800 -1.926600 7.8000002E-02 H -4.787900 -1.711200 -0.5158000 H -3.429900 -1.498500 -1.624300 H -3.417900 -0.2220000 1.886800 H -5.105200 2.2500001E-02 1.431200 H -4.009700 1.408500 1.514400 %chk=000113863-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000113863 0 1 O 2.797977 1.988475 0.049859 C 1.354549 -0.017183 0.342974 C 1.687251 -1.483495 -0.039234 C 0.139784 0.629533 -0.356765 C 3.201950 -1.638648 0.288298 C 3.813732 -0.274293 -0.114271 C 2.676518 0.739943 0.089620 C -1.214167 0.027124 0.082520 C -2.407377 0.696803 -0.638832 C -3.821563 0.183620 -0.240818 C -4.025449 -1.310717 -0.591217 C -4.147809 0.451366 1.249037 H 1.187522 0.033282 1.443872 H 1.517499 -1.627684 -1.125191 H 1.064322 -2.220652 0.495194 H 0.255789 0.521399 -1.455231 H 0.152521 1.717131 -0.145824 H 3.664035 -2.489594 -0.240564 H 3.336647 -1.807954 1.373685 H 4.086571 -0.259827 -1.189401 H 4.715798 0.022389 0.448055 H -1.217442 -1.062579 -0.117993 H -1.319094 0.148396 1.179959 H -2.362336 1.790585 -0.453429 H -2.278923 0.562065 -1.733763 H -4.546323 0.767698 -0.847833 H -3.372366 -1.960049 0.021375 H -5.070702 -1.620207 -0.403230 H -3.798436 -1.507427 -1.656100 H -3.513930 -0.161478 1.916994 H -5.202033 0.201801 1.471946 H -3.987518 1.514577 1.510008