%chk=000251704.chk %nprocshared=4 %mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000251704 0 1 O -3.012381 2.080589 -0.063671 O 1.626337 -2.304843 0.165972 O 5.567305 0.536238 0.236192 O -0.877245 3.028109 -0.045955 O 3.508949 -3.709370 0.442070 O 5.880909 2.575213 -0.909815 N -2.518654 -0.177296 0.017368 C 1.329018 0.079756 0.086422 C 2.251601 -1.027870 0.148439 C -0.094115 -0.230213 0.069120 C -1.274222 0.522258 0.021023 C 1.906956 1.388329 0.049439 C 3.643307 -0.842077 0.173229 C -3.479758 0.728854 -0.031535 C 4.150270 0.475049 0.132532 C -4.922080 0.519805 -0.056325 C 3.296621 1.599259 0.070983 C -1.560601 1.991157 -0.030021 C -5.434790 -0.807530 -0.026330 C -5.816210 1.624558 -0.110327 C -6.825518 -1.022266 -0.050182 C -7.207446 1.399086 -0.133825 C -7.716087 0.078897 -0.103928 C 2.276830 -3.560067 0.323849 C 6.352953 1.601413 -0.295813 C 1.230438 -4.649460 0.350959 C 7.812024 1.336941 -0.006954 H -0.308909 -1.304664 0.100506 H 1.244719 2.253991 0.003141 H 4.330383 -1.685300 0.231112 H 3.700638 2.610492 0.026157 H -4.729910 -1.644050 0.014987 H -5.411487 2.640873 -0.133503 H -7.219395 -2.043992 -0.027118 H -7.895434 2.250207 -0.175500 H -8.798133 -0.092025 -0.122420 H 0.367511 -4.390053 -0.280785 H 0.866870 -4.779698 1.387111 H 1.680711 -5.598024 0.021787 H 7.941763 0.457532 0.638556 H 8.257017 2.227243 0.469046 H 8.345548 1.174550 -0.960392 %chk=000251704-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000251704 0 1 O -2.947241 2.033001 -0.121668 O 1.678616 -2.387867 0.199638 O 5.518418 0.559845 0.046208 O -0.761988 2.887015 -0.149715 O 3.622097 -3.730746 0.259662 O 5.787050 2.902477 -0.099370 N -2.541045 -0.242395 0.028977 C 1.295071 -0.015022 0.052070 C 2.255609 -1.090830 0.123235 C -0.116539 -0.349208 0.060410 C -1.274781 0.413225 0.000783 C 1.823904 1.309923 -0.022331 C 3.638498 -0.853772 0.118360 C -3.467221 0.700834 -0.042154 C 4.100371 0.481340 0.041986 C -4.916928 0.548223 -0.048586 C 3.204203 1.575246 -0.028304 C -1.498710 1.886009 -0.095337 C -5.481889 -0.755656 0.031144 C -5.766831 1.685452 -0.133123 C -6.880337 -0.915091 0.026239 C -7.166180 1.515363 -0.137318 C -7.726770 0.218450 -0.057856 C 2.382523 -3.622442 0.263363 C 6.278121 1.761897 -0.024162 C 1.373570 -4.744113 0.335357 C 7.744288 1.401899 0.009814 H -0.329518 -1.422298 0.125823 H 1.126791 2.150362 -0.077037 H 4.357278 -1.670620 0.170691 H 3.572047 2.599042 -0.086250 H -4.810504 -1.617865 0.095576 H -5.322104 2.683313 -0.194287 H -7.314397 -1.918808 0.087808 H -7.820087 2.391514 -0.202362 H -8.814902 0.090584 -0.061392 H 0.710378 -4.718181 -0.546487 H 0.735957 -4.625938 1.228593 H 1.899835 -5.708151 0.378417 H 7.981123 0.864526 0.944470 H 8.349648 2.316698 -0.058957 H 7.988878 0.724366 -0.826324