%chk=000087575.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000087575 0 1 Si 0.9357000 -0.9980000 -5.4299999E-02 O 1.627400 0.4513000 -0.5413000 N -4.047500 0.9116000 -0.3298000 C -0.7622000 -0.7195000 0.7058000 C -1.774700 8.9999998E-04 -0.1926000 C 2.026200 -1.821000 1.243300 C 0.7563000 -2.186700 -1.501100 C -3.101000 0.2184000 0.5363000 C 1.856500 1.476500 0.4141000 C 2.483400 2.666500 -0.2805000 H -1.170000 -1.694400 0.9990000 H -0.6298000 -0.1457000 1.630900 H -1.367300 0.9698000 -0.5105000 H -1.946300 -0.5854000 -1.104900 H 2.097000 -1.200300 2.141100 H 1.612300 -2.792200 1.530300 H 3.035100 -1.978300 0.8510000 H 0.1330000 -1.747900 -2.285600 H 1.735700 -2.417700 -1.930400 H 0.2932000 -3.122800 -1.175700 H -3.531100 -0.7417000 0.8409000 H -2.945700 0.8124000 1.443200 H 0.9117000 1.788900 0.8752000 H 2.535800 1.123700 1.199500 H 2.674200 3.477400 0.4281000 H 3.428600 2.382600 -0.7550000 H 1.827800 3.038900 -1.074600 H -4.189900 0.3716000 -1.182600 H -3.650800 1.802600 -0.6265000 %chk=000087575-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000087575 0 1 Si 0.929130 -1.102813 0.040983 O 1.628620 0.425454 -0.468176 N -4.146378 0.944716 -0.360387 C -0.807695 -0.781627 0.792228 C -1.789251 -0.058609 -0.166528 C 2.064102 -1.938046 1.332699 C 0.840182 -2.093009 -1.576406 C -3.159700 0.256809 0.496265 C 1.897957 1.543955 0.437106 C 2.541785 2.669566 -0.376498 H -1.238709 -1.754046 1.112121 H -0.689767 -0.185691 1.722647 H -1.335176 0.887856 -0.526850 H -1.965585 -0.680472 -1.068795 H 2.137492 -1.339211 2.259440 H 1.676521 -2.936519 1.609797 H 3.084551 -2.069077 0.928992 H 0.227727 -1.560172 -2.325181 H 1.851072 -2.224513 -2.001452 H 0.399998 -3.094092 -1.415122 H -3.615070 -0.686920 0.856304 H -2.989961 0.880700 1.396221 H 0.951759 1.897732 0.904389 H 2.579080 1.223327 1.256243 H 2.761842 3.543259 0.265703 H 3.483436 2.317614 -0.832035 H 1.865509 2.987519 -1.188933 H -4.471647 0.384687 -1.155169 H -3.858228 1.883122 -0.656307