%chk=000117584.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000117584 0 1 O -1.669100 -0.2666000 -4.8799999E-02 O 1.767300 -0.4977000 -0.2607000 O -2.670100 0.9560000 -1.715900 O 2.979200 6.2899999E-02 1.608400 O -4.384200 2.936900 -0.6497000 O 4.963300 1.985600 1.004700 N -3.093800 1.388600 0.5324000 N 3.422600 1.024500 -0.4653000 C -8.6999997E-02 -2.114700 -0.3524000 C -0.9404000 -3.070900 0.5687000 C -0.9857000 -1.040700 -1.025900 C 0.9880000 -1.401200 0.5165000 C 0.6265000 -2.886300 -1.484200 C -2.081900 -3.791600 -0.1655000 C -0.1098000 -4.128500 1.313000 C -2.496000 0.7176000 -0.5253000 C 2.746800 0.1858000 0.4102000 C -3.991800 2.446200 0.4054000 C 4.478400 1.863900 -0.1168000 C -4.440000 2.969900 1.743600 C 4.977800 2.660500 -1.292300 H -1.411700 -2.450500 1.343600 H -0.3736000 -0.3684000 -1.641100 H -1.715200 -1.510700 -1.695700 H 1.675900 -2.136500 0.9473000 H 0.5092000 -0.8519000 1.336600 H 1.337000 -3.619100 -1.089300 H -8.5299999E-02 -3.415800 -2.125000 H 1.192700 -2.208700 -2.133900 H -1.707300 -4.459600 -0.9467000 H -2.784200 -3.086100 -0.6174000 H -2.661600 -4.402800 0.5359000 H 0.4198000 -4.792100 0.6232000 H -0.7592000 -4.756200 1.934300 H 0.6183000 -3.675100 1.990600 H -2.846200 1.076300 1.467700 H 3.110900 1.018400 -1.433000 H -3.601300 3.461800 2.243900 H -4.806200 2.148600 2.366500 H -5.248900 3.692300 1.604700 H 4.217700 3.387500 -1.591400 H 5.197800 1.995400 -2.132400 H 5.893000 3.191200 -1.015900 %chk=000117584-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000117584 0 1 O -1.596905 -0.543131 -0.491718 O 1.339703 -0.692212 -0.202362 O -0.435133 1.155166 -1.653626 O 2.675856 -0.047410 1.627143 O -0.744607 3.633627 -0.188397 O 3.825062 2.621947 0.952668 N -1.844022 1.590034 0.207090 N 2.212321 1.382101 -0.239134 C -0.158909 -2.608351 -0.405527 C -1.153574 -3.473818 0.460738 C -0.932412 -1.606482 -1.306787 C 0.775281 -1.828200 0.557556 C 0.700907 -3.468189 -1.373410 C -2.049161 -4.412852 -0.385910 C -0.438284 -4.309172 1.554686 C -1.202681 0.777197 -0.745367 C 2.162911 0.209250 0.522736 C -1.614506 2.975029 0.427433 C 2.976250 2.551480 0.033409 C -2.519669 3.560880 1.505509 C 2.632098 3.693116 -0.915777 H -1.818531 -2.747103 0.974839 H -0.251788 -1.109879 -2.016610 H -1.746048 -2.110579 -1.852191 H 1.597256 -2.461061 0.933477 H 0.216391 -1.424459 1.423283 H 1.169922 -4.314369 -0.841633 H 0.099002 -3.883228 -2.201978 H 1.506623 -2.852886 -1.811801 H -1.453070 -5.203125 -0.877799 H -2.621329 -3.879593 -1.166694 H -2.784743 -4.914619 0.269101 H 0.269582 -5.035436 1.113028 H -1.183257 -4.886955 2.131964 H 0.118579 -3.683414 2.273806 H -2.505780 1.104078 0.818496 H 1.532706 1.420661 -1.013186 H -2.298956 3.109107 2.490618 H -3.586327 3.383296 1.277237 H -2.339937 4.643206 1.569024 H 1.552799 3.926820 -0.863059 H 2.867614 3.418855 -1.961131 H 3.220466 4.578874 -0.637143