%chk=000111878.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111878 0 1 O 1.0800000E-02 -0.3860000 1.6000000E-03 N 3.628800 0.2812000 -9.9999998E-03 C -1.165300 0.4112000 7.7000000E-03 C -2.379900 -0.5043000 1.9999999E-04 C 1.184700 0.4153000 8.2000000E-03 C 2.400000 -0.4983000 1.2000001E-03 C -3.679100 0.2809000 -8.8999998E-03 H -1.175800 1.056000 -0.8789000 H -1.176800 1.042700 0.9039000 H -2.338100 -1.163900 -0.8750000 H -2.349100 -1.163600 0.8759000 H 1.189400 1.060700 -0.8787000 H 1.191300 1.048000 0.9042000 H 2.381300 -1.148900 0.8826000 H 2.366600 -1.158900 -0.8728000 H -3.747100 0.9168000 -0.8973000 H -4.534700 -0.4015000 -1.3700000E-02 H -3.758200 0.9186000 0.8773000 H 3.661800 0.8603000 -0.8480000 H 4.428500 -0.3478000 -6.5899998E-02 %chk=000111878-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000111878 0 1 O 0.010545 -0.367883 -0.050302 N 3.686679 0.247952 -0.092454 C -1.209851 0.443177 0.000029 C -2.411118 -0.507923 -0.024621 C 1.231100 0.444138 -0.026796 C 2.426714 -0.518908 -0.047029 C -3.754593 0.251938 0.027543 H -1.242776 1.138276 -0.871211 H -1.218980 1.061770 0.927336 H -2.353909 -1.125046 -0.941034 H -2.328604 -1.201840 0.833014 H 1.260500 1.119094 -0.914387 H 1.272837 1.077280 0.885288 H 2.409467 -1.115658 0.882514 H 2.286440 -1.231974 -0.891553 H -3.864360 0.935028 -0.836047 H -4.606465 -0.451183 0.009571 H -3.838305 0.857993 0.949524 H 3.880842 0.700677 -0.989613 H 4.502935 -0.238406 0.283827