%chk=000055781.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000055781 0 1 S -4.297300 -1.024500 1.275500 N 3.628100 1.028400 0.1218000 N 6.283000 -6.7100003E-02 -0.2087000 N -0.9467000 0.7393000 2.855100 C -1.309300 0.4351000 0.2480000 C -0.1145000 1.272700 -0.3272000 C 1.194300 0.7242000 0.1951000 C 2.353600 1.530600 -0.3877000 C 3.831400 -0.3715000 -0.2708000 C 4.742300 1.859500 -0.3500000 C 5.168300 -0.8988000 0.2611000 C 6.079000 1.332900 0.1832000 C -1.191400 -1.041100 -0.2126000 C -2.701600 0.9987000 -0.1327000 C -1.865100 -2.089500 0.4558000 C -3.938700 0.4320000 0.2757000 C -2.735900 -1.847900 1.652600 C 7.556900 -0.5691000 0.3028000 C -1.105600 0.6060000 1.713500 C -0.4582000 -1.387500 -1.370300 C -2.768700 2.170500 -0.9328000 C -1.754900 -3.416100 -1.2900000E-02 C -5.147900 1.053700 -0.1321000 C -0.3574000 -2.706300 -1.822400 C -3.973300 2.759900 -1.320800 C -1.002100 -3.723600 -1.139700 C -5.168000 2.199700 -0.9193000 H -0.1187000 1.314000 -1.422800 H -0.1886000 2.317900 1.0600000E-02 H 1.273900 0.8034000 1.285000 H 1.297200 -0.3286000 -4.6599999E-02 H 2.326900 1.493100 -1.484800 H 2.233400 2.581400 -9.4700001E-02 H 3.792300 -0.4874000 -1.362300 H 3.081000 -1.036900 0.1632000 H 4.613100 2.889600 3.8999999E-03 H 4.769700 1.892000 -1.447700 H 5.141900 -0.9334000 1.359000 H 5.300100 -1.928100 -9.4499998E-02 H 6.883400 1.954000 -0.2292000 H 6.109400 1.442200 1.275900 H -3.030800 -2.816300 2.077400 H -2.211100 -1.380700 2.482500 H 7.725500 -1.599300 -3.0099999E-02 H 7.601400 -0.5489000 1.397700 H 8.389300 2.7200000E-02 -8.7099999E-02 H 3.7700001E-02 -0.6439000 -1.985900 H -1.874700 2.669900 -1.293500 H -2.270500 -4.224800 0.5007000 H -6.113900 0.6432000 0.1637000 H 0.2179000 -2.929600 -2.716300 H -3.967200 3.654600 -1.936000 H -0.9314000 -4.749200 -1.487900 H -6.112600 2.646600 -1.212700 %chk=000055781-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000055781 0 1 S -4.255476 -0.611460 1.789501 N 3.770745 0.936906 0.075937 N 6.558891 0.153517 -0.141789 N -1.006653 0.671529 2.987867 C -1.339112 0.355186 0.349332 C -0.087747 1.145231 -0.186669 C 1.277324 0.593625 0.279101 C 2.433531 1.356021 -0.403340 C 4.157686 -0.420971 -0.383432 C 4.825595 1.917424 -0.288498 C 5.511194 -0.829762 0.220305 C 6.175673 1.507926 0.321121 C -1.385826 -1.118601 -0.164281 C -2.687675 1.005310 -0.098717 C -2.152103 -2.130068 0.494603 C -3.945659 0.567274 0.413788 C -2.831190 -1.900751 1.817946 C 7.896630 -0.247442 0.331793 C -1.206985 0.475184 1.827895 C -0.773344 -1.440012 -1.402140 C -2.694715 2.012316 -1.098423 C -2.275258 -3.410217 -0.105421 C -5.149319 1.132073 -0.085378 C -0.894738 -2.719682 -1.982078 C -3.890581 2.585525 -1.577413 C -1.651988 -3.716751 -1.331345 C -5.129110 2.142109 -1.065863 H -0.114860 1.165505 -1.291639 H -0.189411 2.195121 0.148442 H 1.387286 0.701944 1.373009 H 1.342124 -0.486124 0.051525 H 2.342421 1.248373 -1.519017 H 2.324320 2.436004 -0.179278 H 4.233703 -0.462203 -1.500745 H 3.389978 -1.147473 -0.063712 H 4.533744 2.910879 0.100879 H 4.946220 1.998851 -1.399031 H 5.395762 -0.918077 1.331135 H 5.804286 -1.821253 -0.173804 H 6.955924 2.225572 0.004247 H 6.094144 1.553443 1.437598 H -3.347566 -2.815453 2.150291 H -2.142258 -1.574482 2.608827 H 8.159158 -1.235322 -0.088119 H 7.971570 -0.315017 1.447391 H 8.648972 0.482999 -0.017001 H -0.195508 -0.684584 -1.940643 H -1.749725 2.371758 -1.511615 H -2.872829 -4.174096 0.405709 H -6.105669 0.765301 0.303158 H -0.405022 -2.931106 -2.938773 H -3.852251 3.367300 -2.343223 H -1.758883 -4.713696 -1.771816 H -6.070520 2.566599 -1.430499