%chk=000117492.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000117492 0 1 O -2.657100 0.6201000 8.3200000E-02 O -0.1442000 -1.752400 -0.1531000 O -3.775000 1.159400 -1.855800 O -0.2001000 -3.476500 1.371500 N -4.910800 0.5004000 3.1800002E-02 N -7.2999999E-02 -3.884200 -0.8878000 C -0.2102000 0.6665000 0.4067000 C 1.081700 0.9160000 -0.4325000 C -0.3102000 1.605400 1.646000 C -1.415100 0.8932000 -0.5504000 C -0.2150000 -0.8067000 0.9071000 C 2.415100 0.6445000 0.2784000 C 3.595100 0.8444000 -0.6792000 C -0.3363000 3.098500 1.339200 C 4.953900 0.5597000 -3.5200000E-02 C 6.122600 0.6888000 -1.000200 C -3.777100 0.7931000 -0.6853000 C -0.1442000 -3.070300 0.2156000 H 1.084200 1.946800 -0.8082000 H 1.045700 0.2837000 -1.330600 H -1.216700 1.361000 2.214700 H 0.5279000 1.407600 2.325300 H -1.417500 1.922500 -0.9284000 H -1.322100 0.2314000 -1.421600 H -1.141300 -0.9911000 1.467500 H 0.6118000 -0.9790000 1.606200 H 2.452000 -0.3828000 0.6533000 H 2.528600 1.314700 1.137100 H 3.469200 0.1862000 -1.547900 H 3.586200 1.873900 -1.057900 H -1.210600 3.378100 0.7455000 H 0.5660000 3.421700 0.8136000 H -0.3875000 3.663900 2.276000 H 5.107900 1.247000 0.8052000 H 4.953200 -0.4550000 0.3805000 H 6.021300 -1.5000000E-02 -1.832300 H 7.065400 0.4768000 -0.4865000 H 6.178100 1.701600 -1.411600 H -5.833100 0.5749000 -0.3841000 H -4.860900 0.2007000 0.9997000 H -6.2700003E-02 -4.894700 -0.7995000 H -2.8400000E-02 -3.499700 -1.825600 %chk=000117492-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000117492 0 1 O -2.649376 0.651405 0.164679 O -0.180475 -1.818236 -0.191715 O -3.869177 1.082776 -1.807441 O -0.603446 -3.569392 1.331620 N -4.920716 0.588471 0.234631 N -0.296313 -3.952368 -0.965847 C -0.197903 0.580954 0.349042 C 1.095128 0.777486 -0.507148 C -0.262067 1.554990 1.570068 C -1.389433 0.808647 -0.607886 C -0.273465 -0.848675 0.931040 C 2.437853 0.606263 0.238669 C 3.653304 0.860312 -0.682693 C -0.170719 3.058761 1.232496 C 5.009730 0.687733 0.038054 C 6.220023 0.967607 -0.878687 C -3.831014 0.799275 -0.584353 C -0.382922 -3.164619 0.163229 H 1.068006 1.789310 -0.960688 H 1.066306 0.057403 -1.348646 H -1.210521 1.367747 2.108987 H 0.554127 1.293812 2.272162 H -1.368416 1.820795 -1.050002 H -1.383597 0.068036 -1.426556 H -1.228978 -1.009623 1.459444 H 0.555231 -1.044943 1.634760 H 2.512938 -0.418257 0.655157 H 2.492385 1.303133 1.099494 H 3.608647 0.169426 -1.550627 H 3.589570 1.887301 -1.100357 H -0.995056 3.382693 0.571962 H 0.783774 3.316267 0.738723 H -0.237723 3.659280 2.158030 H 5.044520 1.366523 0.914943 H 5.079092 -0.343187 0.441300 H 6.227709 0.281788 -1.747018 H 7.176108 0.838912 -0.338669 H 6.189561 2.002133 -1.270118 H -5.851019 0.662441 -0.166227 H -4.793617 0.342611 1.213105 H -0.422169 -4.955549 -0.868946 H -0.129092 -3.534342 -1.877570