%chk=000076765.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000076765 0 1 O 3.348600 -1.987600 1.190000 O 3.348100 1.987500 -1.190300 O -3.348400 -1.987600 -1.190000 O -3.348300 1.987500 1.190300 N 2.827200 0.000000 1.9999999E-04 N -2.827300 9.9999997E-05 -1.9999999E-04 C 1.394900 -9.9999997E-05 3.0000001E-04 C -1.394900 0.000000 -1.9999999E-04 C 0.6975000 -1.208100 1.9999999E-04 C -0.6974000 -1.207900 0.000000 C 0.6974000 1.208100 9.9999997E-05 C -0.6975000 1.208000 0.000000 C 3.623100 -0.9768000 0.5641000 C 3.622800 0.9769000 -0.5641000 C -3.623000 -0.9769000 -0.5641000 C -3.622900 0.9768000 0.5640000 C 5.018300 -0.5783000 0.3273000 C 5.018100 0.5785000 -0.3276000 C -5.018200 -0.5784000 -0.3275000 C -5.018100 0.5784000 0.3274000 H 1.207400 -2.166200 -2.1800000E-02 H -1.207400 -2.166100 2.2000000E-02 H 1.207500 2.166100 2.2200000E-02 H -1.207500 2.166000 -2.2100000E-02 H 5.877000 -1.142200 0.6509000 H 5.876600 1.142600 -0.6513000 H -5.876900 -1.142400 -0.6511000 H -5.876800 1.142400 0.6511000 %chk=000076765-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000076765 0 1 O 3.297518 -1.969377 1.302921 O 3.297433 1.969564 -1.302969 O -3.297450 -1.969571 -1.302852 O -3.297509 1.969423 1.302957 N 2.852381 0.000133 0.000055 N -2.852388 -0.000112 0.000121 C 1.414545 0.000078 0.000049 C -1.414553 -0.000051 0.000083 C 0.703458 -1.224781 -0.007088 C -0.703358 -1.224846 0.007235 C 0.703349 1.224873 0.007216 C -0.703468 1.224808 -0.007075 C 3.685985 -0.977194 0.643339 C 3.685940 0.977535 -0.643178 C -3.685953 -0.977514 -0.643101 C -3.685985 0.977207 0.643429 C 5.108240 -0.567432 0.373114 C 5.108214 0.567497 -0.373471 C -5.108224 -0.567496 -0.373348 C -5.108242 0.567466 0.373186 H 1.241630 -2.174625 -0.001609 H -1.241442 -2.174738 0.001775 H 1.241431 2.174767 0.001741 H -1.241639 2.174652 -0.001588 H 5.947830 -1.146706 0.756978 H 5.947777 1.146598 -0.757654 H -5.947791 -1.146613 -0.757499 H -5.947829 1.146754 0.757036