%chk=000011468.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000011468 0 1 O -2.004800 0.3358000 -1.412800 C -1.965000 7.4500002E-02 -5.7000001E-03 C -1.349500 -1.310700 0.2323000 C 9.0800002E-02 -1.395300 -0.2878000 C -1.106900 1.167400 0.6559000 C 0.9233000 -0.1819000 3.8100000E-02 C 2.403600 -0.3236000 -0.1601000 C 0.3717000 0.9624000 0.4769000 C -3.402000 0.1352000 0.5146000 C 2.892500 0.6680000 -1.210400 C 3.146400 -0.1317000 1.158900 H -1.942000 -2.084000 -0.2720000 H -1.361400 -1.542300 1.305500 H 8.5000001E-02 -1.536400 -1.375700 H 0.5530000 -2.290700 0.1460000 H -1.305300 1.210900 1.733900 H -1.367800 2.145400 0.2324000 H 2.628600 -1.333300 -0.5267000 H 0.9977000 1.816100 0.7220000 H -3.846100 1.117400 0.3164000 H -4.031900 -0.5997000 5.0000002E-04 H -3.451700 -5.8300000E-02 1.591000 H 2.792500 1.709000 -0.8842000 H 2.341400 0.5528000 -2.150900 H 3.952900 0.4974000 -1.428500 H 2.776600 -0.8232000 1.924500 H 3.052500 0.8877000 1.548900 H 4.215700 -0.3307000 1.024700 H -1.097400 0.4339000 -1.744800 %chk=000011468-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000011468 0 1 O -2.107675 -0.083087 -1.472195 C -2.017897 0.033578 0.011472 C -1.296466 -1.214136 0.583546 C 0.114105 -1.378421 -0.023590 C -1.200058 1.300106 0.369316 C 0.906852 -0.073414 -0.076228 C 2.411306 -0.224307 -0.330914 C 0.288520 1.129734 0.100786 C -3.473550 0.125085 0.482095 C 3.098076 1.036593 -0.901427 C 3.138579 -0.682788 0.968172 H -1.905367 -2.114440 0.378823 H -1.217944 -1.103936 1.683511 H 0.032096 -1.793256 -1.050959 H 0.680229 -2.137232 0.551627 H -1.363894 1.559414 1.436317 H -1.596892 2.152023 -0.218488 H 2.530974 -1.041210 -1.076598 H 0.879230 2.053518 0.046167 H -3.942691 1.053574 0.111542 H -4.049623 -0.729609 0.086629 H -3.533061 0.112052 1.585591 H 3.093868 1.864202 -0.167552 H 2.596488 1.390574 -1.820260 H 4.154212 0.818990 -1.145516 H 2.686255 -1.595973 1.395622 H 3.086766 0.113026 1.734132 H 4.204167 -0.897009 0.763383 H -1.204207 0.098449 -1.842105