%chk=000124411.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124411 0 1 S -4.111100 1.788600 -4.8500001E-02 O -1.583400 -0.2290000 0.9834000 O -2.239600 -2.922200 0.6012000 O 1.114800 2.829600 0.3662000 O 4.382700 -0.3533000 -0.2157000 N 0.4517000 0.5990000 0.1787000 N 2.734200 1.231900 7.5000003E-02 C -3.035700 0.4930000 -0.7639000 C -0.9501000 0.8692000 0.3124000 C -1.648000 1.039300 -1.026500 C -2.766200 -0.6114000 0.2561000 C -2.489400 -1.957500 -0.4077000 C 0.8589000 -0.7179000 8.0000004E-03 C 1.403600 1.640200 0.2180000 C 2.133000 -1.105300 -0.1285000 C 3.194900 -6.4700000E-02 -9.6900001E-02 C 2.549700 -2.529400 -0.3113000 H -3.526100 0.1299000 -1.671800 H -1.094200 1.760400 0.9345000 H -1.164800 0.4218000 -1.795100 H -1.613000 2.070400 -1.394200 H -3.575500 -0.7409000 0.9843000 H -1.638100 -1.930600 -1.091600 H -3.368500 -2.281900 -0.9749000 H 9.6100003E-02 -1.479400 -8.2999999E-03 H -4.123600 2.588600 -1.124900 H 3.437600 1.964900 0.1003000 H -2.079600 -3.770300 0.1532000 H 3.081900 -2.653300 -1.260100 H 1.691500 -3.209700 -0.3205000 H 3.212300 -2.841300 0.5027000 %chk=000124411-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000124411 0 1 S -4.357456 1.627712 0.377260 O -1.679505 -0.230506 1.045662 O -1.849409 -2.900205 0.067882 O 0.931862 2.705951 -0.378315 O 4.379187 -0.457754 -0.627933 N 0.446211 0.469071 0.144662 N 2.629769 1.083148 -0.484682 C -3.126847 0.608456 -0.662964 C -0.969235 0.890610 0.447605 C -1.757906 1.308708 -0.826350 C -2.771848 -0.666446 0.137382 C -2.341734 -1.816534 -0.789940 C 0.879033 -0.850363 0.307428 C 1.316223 1.506316 -0.247330 C 2.177237 -1.243723 0.065212 C 3.158843 -0.240045 -0.368199 C 2.649980 -2.665940 0.242934 H -3.610691 0.382493 -1.627460 H -0.916683 1.705377 1.187654 H -1.241931 0.930948 -1.728452 H -1.824946 2.402100 -0.910795 H -3.577608 -1.021243 0.800892 H -1.552139 -1.482190 -1.496212 H -3.230912 -2.136512 -1.374219 H 0.106665 -1.544593 0.653519 H -4.474416 2.664622 -0.535147 H 3.288065 1.814445 -0.772230 H -1.703987 -3.714354 -0.476115 H 3.060638 -3.065838 -0.702383 H 1.828842 -3.319709 0.582776 H 3.470697 -2.715303 0.981458