%chk=000115843.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000115843 0 1 O 3.244800 0.5408000 0.4437000 O 4.992200 -0.2802000 -0.8340000 C -1.321300 -0.8351000 0.6156000 C -1.132300 0.7028000 0.6226000 C -2.441400 -1.038000 -0.4257000 C -2.168900 1.180100 -0.4157000 C -2.152900 5.6899998E-02 -1.456800 C 3.8800001E-02 -1.423800 0.2346000 C 0.3303000 0.9481000 0.2452000 C -3.762600 -0.5277000 0.1817000 C -3.574800 0.9996000 0.1884000 C 1.035700 -0.3443000 0.6526000 C 2.399000 -0.5090000 3.7000000E-03 C 4.513400 0.5299000 -5.6000002E-02 H -1.618500 -1.197400 1.607100 H -1.334000 1.117400 1.617500 H -2.505900 -2.053400 -0.8220000 H -1.985100 2.184300 -0.8031000 H -1.193600 -5.8600001E-02 -1.968100 H -2.944500 0.1576000 -2.207700 H 0.2245000 -2.368400 0.7566000 H 0.1046000 -1.629600 -0.8401000 H 0.4443000 1.141500 -0.8278000 H 0.7345000 1.817500 0.7746000 H -3.946900 -0.9241000 1.185100 H -4.613500 -0.7987000 -0.4535000 H -4.334100 1.474000 -0.4436000 H -3.658800 1.420000 1.195500 H 1.149300 -0.3469000 1.745500 H 2.313600 -0.4783000 -1.089500 H 2.832200 -1.473400 0.2949000 H 5.060400 1.389700 0.3603000 %chk=000115843-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000115843 0 1 O 3.333347 0.542820 0.490058 O 5.080926 -0.267262 -0.844768 C -1.345372 -0.848718 0.618656 C -1.155085 0.729301 0.616224 C -2.483875 -1.064993 -0.425640 C -2.208706 1.206030 -0.430766 C -2.183287 0.048399 -1.472641 C 0.043033 -1.441927 0.247295 C 0.334097 0.974529 0.246306 C -3.816106 -0.543481 0.196696 C -3.626242 1.021356 0.193493 C 1.063502 -0.336960 0.642298 C 2.422986 -0.538266 -0.017844 C 4.622347 0.543372 -0.013901 H -1.657468 -1.218921 1.613533 H -1.374274 1.165630 1.609092 H -2.542669 -2.096419 -0.813455 H -2.018469 2.219533 -0.823203 H -1.211070 -0.070009 -1.983250 H -2.972816 0.141903 -2.240334 H 0.241464 -2.404471 0.752532 H 0.101051 -1.625616 -0.845638 H 0.439934 1.132161 -0.847281 H 0.761870 1.859763 0.746585 H -3.981917 -0.948099 1.212090 H -4.680757 -0.840367 -0.424588 H -4.396474 1.513737 -0.427901 H -3.687619 1.457078 1.207525 H 1.202010 -0.353990 1.742467 H 2.366439 -0.453262 -1.119793 H 2.879643 -1.513323 0.233878 H 5.178055 1.383770 0.443878