%chk=000054134.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000054134 0 1 O 2.736500 0.9523000 1.492800 N 3.783700 1.433100 -0.5257000 C -3.594200 0.3815000 -0.4579000 C -4.813900 6.8800002E-02 0.4115000 C -2.313900 0.4281000 0.3791000 C -6.124800 1.9000000E-03 -0.3784000 C -1.089400 0.7082000 -0.4936000 C -7.378500 -0.3309000 0.4377000 C 0.1861000 0.7874000 0.3459000 C -8.645100 -0.4390000 -0.4149000 C 1.403400 1.100300 -0.5212000 C -9.896900 -0.7644000 0.4039000 C 2.691900 1.147600 0.2813000 C -11.14590 -0.9450000 -0.4452000 C 5.134600 1.536600 -2.2800000E-02 C 5.848300 0.2160000 -5.3599998E-02 C 5.782600 -0.6380000 1.047500 C 6.576700 -0.1572000 -1.183200 C 6.445500 -1.865000 1.018900 C 7.239400 -1.384200 -1.211600 C 7.173800 -2.238100 -0.1105000 H -3.740900 1.343600 -0.9632000 H -3.497100 -0.3829000 -1.238300 H -4.908900 0.8322000 1.193500 H -4.658700 -0.8895000 0.9224000 H -2.406400 1.206600 1.146000 H -2.179800 -0.5267000 0.9019000 H -6.280300 0.9633000 -0.8843000 H -6.014700 -0.7494000 -1.170900 H -0.9859000 -8.1500001E-02 -1.247600 H -1.232300 1.653000 -1.032300 H -7.218900 -1.278300 0.9670000 H -7.520800 0.4404000 1.204400 H 7.6099999E-02 1.560500 1.116700 H 0.3398000 -0.1632000 0.8717000 H -8.802100 0.5038000 -0.9531000 H -8.499800 -1.217000 -1.174600 H 1.271300 2.069600 -1.016600 H 1.514800 0.3356000 -1.299400 H -9.726900 -1.683300 0.9777000 H -10.07310 3.6699999E-02 1.131500 H -11.36890 -3.3700000E-02 -1.009100 H -12.00770 -1.173400 0.1894000 H -11.01860 -1.766800 -1.156900 H 3.641300 1.560300 -1.523600 H 5.113400 1.935000 0.9985000 H 5.660700 2.273100 -0.6407000 H 5.221600 -0.3595000 1.935200 H 6.634000 0.4984000 -2.048000 H 6.395000 -2.529600 1.876400 H 7.806200 -1.675200 -2.091100 H 7.689900 -3.193400 -0.1327000 %chk=000054134-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000054134 0 1 O 2.736474 2.479580 0.639746 N 3.819835 1.139234 -0.924160 C -3.659528 0.465982 -0.626951 C -4.817531 0.105867 0.330662 C -2.295697 0.605832 0.086013 C -6.178402 -0.049478 -0.384848 C -1.138524 0.963920 -0.873457 C -7.336913 -0.411086 0.571813 C 0.221716 1.097029 -0.155199 C -8.695381 -0.579251 -0.145459 C 1.375575 1.441104 -1.126285 C -9.853227 -0.943419 0.811711 C 2.685457 1.734821 -0.387991 C -11.205209 -1.117259 0.086347 C 5.164040 1.342500 -0.357287 C 5.875548 0.034630 -0.028470 C 5.230070 -0.964514 0.745443 C 7.201732 -0.193277 -0.470837 C 5.899491 -2.163968 1.071091 C 7.875832 -1.392933 -0.144157 C 7.225950 -2.382572 0.627459 H -3.898774 1.415362 -1.150514 H -3.581596 -0.311900 -1.415663 H -4.902645 0.888310 1.113708 H -4.573545 -0.838239 0.861633 H -2.371080 1.383839 0.873901 H -2.057422 -0.343578 0.609811 H -6.423033 0.894073 -0.916462 H -6.092206 -0.832455 -1.167546 H -1.068421 0.188983 -1.666185 H -1.374226 1.917727 -1.391025 H -7.088309 -1.350452 1.109155 H -7.428946 0.375531 1.350078 H 0.172924 1.888246 0.616107 H 0.455611 0.152575 0.376698 H -8.946709 0.359606 -0.682353 H -8.604182 -1.365986 -0.923825 H 1.102101 2.355034 -1.691979 H 1.510060 0.630936 -1.870621 H -9.598422 -1.878660 1.351240 H -9.947205 -0.154889 1.586435 H -11.496047 -0.186960 -0.437443 H -12.015436 -1.374114 0.793547 H -11.148428 -1.922929 -0.670000 H 3.724516 0.528856 -1.737534 H 5.003675 1.952022 0.552786 H 5.784462 1.942549 -1.051924 H 4.204509 -0.793702 1.093689 H 7.710382 0.571002 -1.072165 H 5.391815 -2.926128 1.673190 H 8.901998 -1.555236 -0.492861 H 7.745472 -3.313464 0.880839