%chk=000108696.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108696 0 1 P -1.978300 1.493500 -3.0400001E-02 P -1.589600 -1.650900 0.4144000 O -3.553400 1.226500 -0.3003000 O -1.595100 2.545000 -1.195900 O -3.192700 -1.823200 0.3372000 O -1.314600 -1.278000 1.964500 O -1.694700 1.954200 1.369300 O -0.8270000 -2.845000 -8.3999999E-02 O 2.972200 9.2000000E-02 1.775200 O 3.424200 -1.324200 -0.3578000 O 2.462400 1.898300 0.5005000 O 2.919000 0.4747000 -1.644600 N 0.2557000 3.2400001E-02 -0.3374000 C -1.206400 -9.0899996E-02 -0.5301000 C -1.606800 -0.4063000 -1.997500 C 0.7125000 0.3290000 1.019700 C 1.128200 -0.9701000 -0.9377000 C 2.120600 0.8642000 1.061000 C 2.564000 -0.5211000 -1.026000 H -1.266600 -1.391800 -2.328400 H -1.209500 0.3486000 -2.683700 H -2.696500 -0.4047000 -2.102000 H 0.7435000 -0.5856000 1.620500 H 0.1509000 1.052600 1.591300 H 0.8469000 -1.219500 -1.965000 H 1.145500 -1.901400 -0.3678000 H -4.199400 1.923800 -5.8600001E-02 H -1.896100 3.474900 -1.114500 H -3.604100 -2.626100 0.7221000 H -1.388300 -1.983400 2.642100 H 3.881400 0.4599000 1.784500 H 4.350700 -1.010100 -0.4294000 %chk=000108696-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108696 0 1 P -1.833035 1.335289 0.219786 P -1.707880 -1.813978 0.763308 O -3.321174 1.428687 -0.621534 O -0.952224 2.613622 -0.424639 O -2.981658 -2.549762 -0.152521 O -2.580001 -1.218118 2.113204 O -1.983557 1.318973 1.831435 O -0.459750 -2.759904 1.075875 O 2.783956 1.262513 2.006063 O 3.236565 -1.453037 -2.267152 O 1.385337 2.444184 0.619926 O 3.132100 0.379399 -0.846588 N 0.372967 -0.218496 -0.279180 C -1.079783 -0.328321 -0.408164 C -1.573078 -0.583821 -1.843935 C 0.942767 0.030703 1.067285 C 1.182318 -1.143313 -1.097909 C 1.715229 1.346758 1.150348 C 2.585305 -0.621566 -1.356923 H -1.341848 -1.607896 -2.181023 H -1.120467 0.152951 -2.531944 H -2.666566 -0.476889 -1.887247 H 1.599191 -0.796458 1.384949 H 0.139410 0.098961 1.829604 H 0.715330 -1.297589 -2.081651 H 1.253546 -2.144705 -0.615431 H -3.881716 2.213717 -0.396066 H 0.035714 2.649430 -0.086924 H -3.704446 -2.930371 0.409763 H -2.447214 -0.202848 2.259722 H 3.245348 2.142507 2.072379 H 4.167914 -1.133320 -2.413618