%chk=000118867.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000118867 0 1 I 4.261200 -0.1455000 1.6200000E-02 O 1.386800 -0.5124000 -9.6000005E-03 C 5.0200000E-02 -0.2556000 -4.4999998E-03 C -0.4068000 1.062200 -1.6000000E-03 C -0.8626000 -1.310300 -1.8000000E-03 C -1.776700 1.325400 3.7000000E-03 C -2.232400 -1.047200 3.4000000E-03 C -2.689500 0.2707000 6.0999999E-03 C 2.269700 0.6126000 -1.2000000E-02 H 0.2452000 1.928900 -4.9999999E-03 H -0.5125000 -2.338900 -3.8999999E-03 H -2.133800 2.351200 5.4000001E-03 H -2.943200 -1.868400 5.4000001E-03 H -3.756100 0.4756000 9.9999998E-03 H 2.123600 1.223900 0.8858000 H 2.135600 1.208600 -0.9218000 %chk=000118867-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000118867 0 1 I 4.359303 -0.293275 0.008776 O 1.397949 -0.511476 -0.011998 C 0.023663 -0.177953 -0.006011 C -0.477755 1.146613 -0.004920 C -0.857384 -1.285906 -0.001523 C -1.878273 1.350205 0.001637 C -2.248183 -1.063739 0.004798 C -2.768364 0.254571 0.006625 C 2.343532 0.581302 -0.008748 H 0.193967 2.011368 -0.009918 H -0.436041 -2.295700 -0.002710 H -2.268261 2.374329 0.002457 H -2.927485 -1.923393 0.008454 H -3.850281 0.421819 0.011545 H 2.269519 1.199199 0.902939 H 2.282793 1.192836 -0.925602