%chk=000022443.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000022443 0 1 O 3.820200 0.1688000 0.9029000 O 3.178500 1.277300 -0.8888000 N 3.038900 0.4048000 -2.5000000E-02 C -1.626700 0.3418000 9.2500001E-02 C -3.010300 -0.2990000 0.2191000 C -0.5387000 -0.5676000 0.6670000 C -4.101700 0.6228000 -0.3245000 C 0.8154000 7.8199998E-02 0.5692000 C -5.481700 3.8000001E-03 -0.1704000 C 1.865200 -0.4059000 -0.1060000 C 2.041000 -1.624900 -0.9359000 H -1.415400 0.5513000 -0.9638000 H -1.621100 1.305300 0.6179000 H -3.027100 -1.250900 -0.3255000 H -3.213900 -0.5257000 1.272800 H -0.7460000 -0.7645000 1.726000 H -0.5659000 -1.536700 0.1596000 H -3.917000 0.8337000 -1.384200 H -4.078300 1.581800 0.2062000 H 0.9138000 1.011500 1.124000 H -6.246400 0.6792000 -0.5667000 H -5.710600 -0.1879000 0.8828000 H -5.549700 -0.9434000 -0.7150000 H 2.810000 -2.277700 -0.5087000 H 1.122800 -2.212700 -1.013800 H 2.341800 -1.361800 -1.956100 %chk=000022443-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000022443 0 1 O 3.152562 1.477643 0.769820 O 4.206269 0.032109 -0.642434 N 3.165052 0.427284 0.016755 C -1.645211 0.334892 0.124468 C -3.051084 -0.297345 0.227946 C -0.524855 -0.636005 0.599610 C -4.175851 0.651806 -0.245035 C 0.832969 0.011228 0.576467 C -5.578531 0.014422 -0.144331 C 1.926079 -0.402243 -0.124400 C 2.081997 -1.591518 -1.033393 H -1.446627 0.636226 -0.923115 H -1.609564 1.262241 0.731222 H -3.082550 -1.229420 -0.373948 H -3.243836 -0.598088 1.279124 H -0.753312 -0.934605 1.644916 H -0.552538 -1.558966 -0.007512 H -3.980574 0.955255 -1.293684 H -4.146293 1.581721 0.358474 H 0.954812 0.922244 1.179921 H -6.364203 0.712306 -0.486787 H -5.811486 -0.270592 0.899004 H -5.644698 -0.899398 -0.764460 H 2.852499 -2.284687 -0.652688 H 1.128205 -2.135023 -1.119516 H 2.407869 -1.279890 -2.040826