%chk=000150840.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000150840 0 1 O -0.1157000 -1.965800 -0.2927000 O 0.5899000 1.615500 0.1538000 O 2.594200 -0.2323000 1.171900 O -2.063400 -0.1042000 -1.264900 O -2.286200 2.165300 0.1706000 C 0.7583000 0.2941000 -0.3651000 C -0.2649000 -0.6667000 0.2797000 C 2.241200 -9.1600001E-02 -0.2012000 C -1.717600 -0.1937000 0.1038000 C 3.191300 0.9216000 -0.8241000 C -1.922800 1.155000 0.7642000 C -1.004600 -2.897100 0.3039000 H 0.5679000 0.3475000 -1.443500 H -4.4700000E-02 -0.7224000 1.354800 H 2.409800 -1.066400 -0.6719000 H -2.437400 -0.8645000 0.5806000 H 4.227300 0.5791000 -0.7246000 H 2.975900 1.066500 -1.887100 H 3.138300 1.891700 -0.3184000 H 0.7540000 1.583000 1.111500 H -1.744800 1.178700 1.853700 H 2.511600 0.6380000 1.596600 H -1.528000 0.5942000 -1.676400 H -1.061800 -2.778900 1.390900 H -0.6183000 -3.900200 9.7900003E-02 H -1.996700 -2.840200 -0.1528000 %chk=000150840-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000150840 0 1 O 0.032607 -1.902962 -0.272455 O 0.484145 1.718684 0.290103 O 2.381278 0.314056 1.436924 O -2.032661 -0.093610 -1.341152 O -2.635583 2.113111 0.059405 C 0.738172 0.386052 -0.281192 C -0.272385 -0.605922 0.331724 C 2.202167 -0.019085 -0.009320 C -1.728847 -0.134216 0.074518 C 3.205817 0.744995 -0.882334 C -2.023468 1.228494 0.713192 C -0.857518 -2.993453 0.122022 H 0.548467 0.453572 -1.364251 H -0.120677 -0.662162 1.436388 H 2.297334 -1.111572 -0.149559 H -2.412176 -0.858092 0.580414 H 4.249509 0.502575 -0.603716 H 3.075396 0.467643 -1.944011 H 3.055694 1.835155 -0.789517 H 1.042202 1.750021 1.120416 H -1.769054 1.351862 1.788233 H 3.339794 0.272004 1.672162 H -2.443252 0.805281 -1.508752 H -0.954252 -3.063331 1.227042 H -0.389077 -3.913247 -0.262046 H -1.860831 -2.879655 -0.333036