%chk=000033999.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000033999 0 1 O -1.105500 -0.3390000 -1.501800 O 0.3191000 1.506300 -0.1988000 O -1.745500 2.518900 -0.1744000 N 2.873400 1.820600 1.016900 C -1.599000 7.6099999E-02 -0.2118000 C -3.126800 -9.3000000E-03 -0.1771000 C -0.9786000 -0.7968000 0.8814000 C -1.055100 1.507000 -0.2048000 C 2.451700 2.588600 -0.1539000 C 0.9437000 2.782500 -0.1540000 C 4.186900 1.219700 0.7882000 C -3.857800 0.8858000 0.6043000 C -0.6612000 -2.128700 0.6142000 C -3.788400 -0.9818000 -0.9269000 C -0.7301000 -0.2607000 2.145000 C -1.622700 0.4875000 -2.525500 C 4.100600 -3.0000001E-04 -8.9900002E-02 C 2.901200 2.673400 2.204700 C -5.250100 0.8083000 0.6359000 C -9.5500000E-02 -2.924400 1.610500 C -5.180900 -1.059100 -0.8953000 C -0.1644000 -1.056400 3.141200 C -5.911600 -0.1641000 -0.1138000 C 0.1529000 -2.388300 2.873900 C -1.080900 1.8300001E-02 -3.858900 C 2.950400 -0.7895000 -7.6399997E-02 C 5.170900 -0.3416000 -0.9167000 C 2.870800 -1.919900 -0.8897000 C 5.091100 -1.471900 -1.730100 C 3.941200 -2.261000 -1.716500 H 2.698400 2.050200 -1.077900 H 2.962800 3.558000 -0.2104000 H 0.6603000 3.347000 -1.050700 H 0.5990000 3.341600 0.7221000 H 4.888300 1.955900 0.3731000 H 4.615800 0.8722000 1.738000 H -3.380500 1.619000 1.246600 H -0.8520000 -2.571300 -0.3595000 H -3.244400 -1.706900 -1.526200 H -0.9776000 0.7706000 2.380700 H -1.294100 1.528600 -2.448500 H -2.711800 0.4852000 -2.601800 H 3.198700 2.091400 3.084800 H 3.601900 3.509700 2.098900 H 1.911800 3.077800 2.438700 H -5.818800 1.496100 1.254800 H 0.1508000 -3.961600 1.402700 H -5.696000 -1.820000 -1.474300 H 2.7799999E-02 -0.6396000 4.125500 H -6.995400 -0.2272000 -8.5699998E-02 H 0.5933000 -3.007800 3.649600 H 1.4200000E-02 4.1099999E-02 -3.860900 H -1.378200 -1.018100 -4.051100 H -1.447400 0.6459000 -4.676400 H 2.112500 -0.5662000 0.5748000 H 6.072900 0.2642000 -0.9349000 H 1.980000 -2.539600 -0.8793000 H 5.924700 -1.738000 -2.373400 H 3.879500 -3.141800 -2.348900 %chk=000033999-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000033999 0 1 O -1.041657 -0.546730 -1.232396 O 0.114950 1.805755 -0.777999 O -0.992206 2.216937 1.227263 N 2.610390 1.762379 0.820846 C -1.467539 0.097371 0.018003 C -3.008836 0.229274 0.056881 C -0.963580 -0.827057 1.157596 C -0.772337 1.480473 0.236421 C 2.412401 2.626305 -0.355188 C 0.947467 3.029083 -0.580460 C 3.890912 1.017030 0.792572 C -3.695604 1.465113 0.001411 C -0.173762 -1.965147 0.872361 C -3.761839 -0.973901 0.067920 C -1.308836 -0.536928 2.501384 C -1.570012 0.023719 -2.491839 C 4.020093 0.040084 -0.374694 C 2.374899 2.433268 2.114670 C -5.109260 1.497510 -0.039106 C 0.265659 -2.805319 1.921279 C -5.170384 -0.942895 0.024104 C -0.866845 -1.375978 3.545885 C -5.852085 0.296690 -0.028710 C -0.076177 -2.514573 3.260759 C -0.879129 -0.731957 -3.626269 C 2.886129 -0.631601 -0.896841 C 5.296323 -0.243033 -0.922220 C 3.029310 -1.569798 -1.942901 C 5.443012 -1.189722 -1.962349 C 4.307577 -1.857435 -2.477156 H 2.766994 2.078681 -1.245423 H 3.004195 3.580029 -0.297979 H 0.854164 3.600821 -1.519326 H 0.524205 3.610088 0.256393 H 4.778780 1.702303 0.790891 H 3.943020 0.446149 1.741702 H -3.140529 2.408092 0.012924 H 0.077382 -2.190825 -0.166556 H -3.231898 -1.931873 0.108759 H -1.915802 0.346126 2.724977 H -1.338486 1.104723 -2.538160 H -2.669338 -0.112324 -2.527835 H 2.460294 1.691718 2.928334 H 3.099342 3.262164 2.319197 H 1.351650 2.842527 2.155525 H -5.627702 2.462315 -0.075206 H 0.877945 -3.683835 1.688127 H -5.736397 -1.881146 0.035789 H -1.141841 -1.142930 4.580795 H -6.947166 0.324250 -0.057736 H 0.265803 -3.166816 4.072556 H 0.213352 -0.580115 -3.584171 H -1.087502 -1.814337 -3.558012 H -1.246826 -0.368081 -4.603408 H 1.898290 -0.398135 -0.488551 H 6.180102 0.279764 -0.533705 H 2.140485 -2.074927 -2.339517 H 6.437238 -1.399542 -2.373665 H 4.417512 -2.587181 -3.287644