%chk=000065171.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000065171 1 1 N -1.615500 0.8712000 -0.1352000 N 1.333100 -1.373900 -2.9999999E-02 C 0.4258000 -0.3364000 -5.9400000E-02 C 1.165300 0.8419000 -1.8400000E-02 C -0.9821000 -0.3427000 -0.1186000 C 2.550300 0.4887000 3.7000000E-02 C 2.622600 -0.9028000 2.8300000E-02 C 0.4734000 2.058800 -3.7400000E-02 C -0.9145000 2.027000 -9.6199997E-02 C -3.737900 -0.2479000 -0.2335000 C -1.724200 -1.537700 -0.1597000 C -2.972000 0.9098000 -0.1920000 C -3.108500 -1.481100 -0.2171000 C 3.751400 1.226500 9.3800001E-02 C 3.835700 -1.599300 7.3399998E-02 C -5.223900 -0.1612000 -0.2952000 C 4.973000 0.5451000 0.1396000 C 5.012000 -0.8471000 0.1294000 C -5.864000 -0.1387000 1.091200 H 1.086000 -2.353400 -4.8700001E-02 H 0.9979000 3.008700 -7.4000000E-03 H -1.483900 2.952000 -0.1125000 H -1.235800 -2.507900 -0.1466000 H -3.432400 1.893500 -0.2015000 H -3.682200 -2.403000 -0.2470000 H 3.736900 2.312600 0.1024000 H 3.866400 -2.683700 6.5399997E-02 H -5.523900 0.7378000 -0.8482000 H -5.625200 -1.007500 -0.8669000 H 5.900300 1.110100 0.1835000 H 5.971100 -1.357500 0.1655000 H -5.620600 -1.046100 1.654300 H -6.953100 -7.4500002E-02 1.003200 H -5.517700 0.7221000 1.673100 %chk=000065171-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000065171 1 1 N -1.595273 0.917774 -0.173918 N 1.341733 -1.408798 0.033609 C 0.464842 -0.334165 -0.042526 C 1.229178 0.880348 -0.056796 C -0.955842 -0.345415 -0.100604 C 2.625657 0.512208 0.013722 C 2.667863 -0.924582 0.068989 C 0.529545 2.114985 -0.131113 C -0.854271 2.114001 -0.187931 C -3.805516 -0.142163 -0.228190 C -1.776413 -1.513914 -0.094796 C -2.998049 0.985906 -0.237686 C -3.161508 -1.427207 -0.154520 C 3.836938 1.251007 0.034737 C 3.878715 -1.640528 0.144092 C -5.316857 -0.024904 -0.268565 C 5.049338 0.543385 0.109343 C 5.067693 -0.882992 0.163244 C -5.975093 -0.392854 1.089584 H 1.089856 -2.395372 0.060923 H 1.055126 3.072604 -0.145251 H -1.444606 3.029584 -0.246484 H -1.289211 -2.491417 -0.045801 H -3.410995 1.995748 -0.296249 H -3.769839 -2.336749 -0.154709 H 3.833927 2.344859 -0.006072 H 3.907260 -2.733591 0.185754 H -5.610675 1.001424 -0.553851 H -5.710218 -0.697534 -1.054642 H 5.997571 1.088804 0.126783 H 6.030288 -1.401161 0.220945 H -5.728769 -1.425172 1.396676 H -7.072771 -0.320363 1.007370 H -5.645826 0.289643 1.892533