%chk=000201116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201116

0 1
S 2.242400 -0.985852 2.156387
P 2.312876 -0.801074 0.274402
O 2.448225 0.685799 -0.367760
O 0.976388 -1.394194 -0.540481
O 3.457965 -1.625943 -0.559870
O -5.123452 -0.570203 0.191847
O -4.605683 1.521653 0.247294
N -4.306570 0.340020 0.155222
C 3.399042 1.647751 0.242026
C -0.275055 -0.870571 -0.311817
C -1.864179 0.939368 -0.079568
C 4.824197 1.169315 0.030539
C 3.058643 2.908737 -0.536994
C -0.539848 0.497593 -0.238127
C -2.897779 -0.026450 -0.010203
C -1.298211 -1.842122 -0.250850
C -2.601702 -1.408906 -0.101209
C -2.139578 2.395332 0.004527
C 3.551296 -3.043249 -0.256555
H 3.140366 1.751074 1.322276
H 5.535875 2.004791 0.056655
H 5.156698 0.452997 0.793591
H 4.949077 0.682183 -0.950037
H 3.670798 3.758624 -0.214548
H 2.003357 3.183422 -0.410633
H 3.218377 2.766262 -1.615852
H 0.265322 1.233493 -0.327277
H -1.044107 -2.898726 -0.320103
H -3.427475 -2.131835 -0.045856
H -1.241778 3.019846 -0.073290
H -2.845661 2.721809 -0.782209
H -2.647858 2.655604 0.952741
H 4.391745 -3.354960 -0.895955
H 2.635900 -3.567032 -0.560050
H 3.796889 -3.216756 0.799738


%chk=000201116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201116

0 1
S 2.210316 -0.546531 2.371585
P 2.336568 -0.714698 0.323852
O 2.626816 0.694128 -0.604570
O 0.937122 -1.339515 -0.535575
O 3.490372 -1.810859 -0.327944
O -5.339552 -0.636212 -0.449581
O -4.846021 1.428400 0.363835
N -4.488083 0.265222 -0.076190
C 3.597823 1.742192 -0.093766
C -0.378250 -0.869904 -0.373439
C -2.028992 0.872402 0.205361
C 5.037340 1.246338 -0.271404
C 3.259417 2.986741 -0.915901
C -0.688706 0.430703 0.079071
C -3.046946 -0.062380 -0.160099
C -1.400695 -1.779570 -0.731840
C -2.733465 -1.365015 -0.626774
C -2.268941 2.283601 0.704037
C 3.566904 -3.176003 0.250689
H 3.367889 1.899977 0.979731
H 5.743442 2.027156 0.065843
H 5.226616 0.332744 0.318523
H 5.238393 1.021233 -1.332791
H 3.901687 3.827832 -0.597835
H 2.204675 3.278116 -0.777070
H 3.433050 2.798924 -1.989292
H 0.118757 1.124846 0.329149
H -1.135342 -2.780173 -1.082105
H -3.556079 -2.033101 -0.892429
H -1.305357 2.785180 0.895300
H -2.848319 2.879204 -0.021883
H -2.865137 2.288211 1.632484
H 4.473884 -3.611135 -0.193071
H 2.677080 -3.760333 -0.039213
H 3.658235 -3.129921 1.351313


