%chk=000107628.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107628 0 1 O 0.4949000 -0.1396000 -0.2189000 O 2.872300 -3.327800 0.1213000 O 0.8551000 -2.475400 -8.4700003E-02 N -1.402100 0.8189000 -1.262000 N 2.097400 -2.349700 1.3700000E-02 C -1.301800 0.8334000 1.178200 C -0.4271000 0.9797000 -0.1552000 C -2.468400 2.7600000E-02 0.6406000 C -2.478200 8.7600000E-02 -0.7594000 C -1.866900 2.165600 1.714600 C -0.5673000 0.1083000 2.315700 C 0.2238000 2.340800 -0.2922000 C -1.006200 0.7264000 -2.652300 C -3.450800 -0.6567000 1.345700 C -3.493300 -0.5415000 -1.469000 C 1.837000 9.0200000E-02 -0.1093000 C 1.545200 2.527600 -0.2724000 C 2.402000 1.365600 -0.1225000 C -4.461700 -1.295400 0.6293000 C -4.483900 -1.236700 -0.7694000 C 2.652200 -1.038800 3.5999999E-03 C 3.790500 1.506000 -1.4800000E-02 C 4.034300 -0.8939000 0.1137000 C 4.603200 0.3778000 0.1056000 H -1.068900 2.809100 2.101200 H -2.569900 1.995300 2.539300 H -2.412500 2.722000 0.9432000 H 0.3497000 0.6409000 2.589900 H -0.3028000 -0.9204000 2.049400 H -1.189500 4.6000000E-02 3.216400 H -0.4162000 3.210800 -0.4178000 H -1.830600 1.010500 -3.314600 H -0.6876000 -0.2918000 -2.900700 H -0.1732000 1.401600 -2.872000 H -3.446000 -0.6911000 2.429800 H -3.531900 -0.5092000 -2.553200 H 1.980300 3.515000 -0.3691000 H -5.241100 -1.836500 1.158500 H -5.280100 -1.735200 -1.315800 H 4.252600 2.490200 -2.5699999E-02 H 4.702800 -1.745900 0.2064000 H 5.680100 0.4922000 0.1897000 %chk=000107628-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000107628 0 1 O 0.537788 -0.076738 0.359798 O 2.757749 -3.486755 -0.268583 O 1.185162 -2.587340 1.116773 N -1.248429 0.833186 -1.032334 N 2.164999 -2.474055 0.286034 C -1.522368 0.938532 1.349983 C -0.481324 1.121802 0.159845 C -2.557370 0.015428 0.698607 C -2.370480 0.026693 -0.706521 C -2.213257 2.300279 1.664114 C -0.881526 0.365475 2.631660 C 0.279323 2.418200 0.092233 C -0.677663 0.870296 -2.380149 C -3.612278 -0.712864 1.262150 C -3.224696 -0.678564 -1.575005 C 1.861892 0.035143 0.034448 C 1.624252 2.494272 -0.122771 C 2.466873 1.307484 -0.235499 C -4.487162 -1.435080 0.405009 C -4.292424 -1.411216 -0.994866 C 2.684270 -1.130804 -0.036394 C 3.838441 1.378753 -0.572971 C 4.047502 -1.041238 -0.403474 C 4.628955 0.212755 -0.668226 H -1.508248 3.007911 2.137502 H -3.043909 2.126411 2.369884 H -2.636995 2.763093 0.754405 H -0.086645 1.035648 3.007564 H -0.444608 -0.628183 2.449838 H -1.651391 0.280837 3.420811 H -0.323799 3.327626 0.166150 H -1.453030 1.159032 -3.112239 H -0.259752 -0.112245 -2.680008 H 0.124492 1.624615 -2.418535 H -3.760708 -0.737749 2.347943 H -3.071809 -0.682164 -2.658933 H 2.107906 3.474460 -0.214033 H -5.310996 -2.017548 0.830774 H -4.969267 -1.976269 -1.645750 H 4.283569 2.362666 -0.764053 H 4.625034 -1.967611 -0.464925 H 5.687328 0.279331 -0.935457