%chk=000198836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198836

0 1
S -1.865642 1.821558 -0.934459
O -3.098006 2.548430 -1.203429
O -0.850288 2.485398 -0.121568
N 2.191940 0.283546 0.116583
N 0.859674 -1.396337 -0.714578
N 3.306541 -1.493772 -1.191139
C -1.353681 -0.663842 0.172387
C -2.294209 0.308730 -0.192070
C 0.092607 -0.460019 -0.002037
C 0.883032 0.573038 0.515552
C -1.783717 -1.881727 0.729448
C -3.655782 0.069219 0.034786
C 2.139470 -0.965985 -0.659536
C -1.142495 1.380468 -2.463058
C -3.143489 -2.111668 0.942711
C -4.083714 -1.132333 0.602003
C 3.400050 0.950253 0.320968
C 4.526744 0.390960 -0.219969
C 4.435004 -0.838629 -0.972277
H 0.588232 1.464232 1.062358
H -1.046753 -2.646759 0.982336
H -4.395558 0.835260 -0.238203
H -1.862564 1.393561 -3.294748
H -0.337836 2.068361 -2.763202
H -0.684875 0.379134 -2.479547
H -3.473105 -3.057153 1.376071
H -5.144316 -1.307391 0.775442
H 3.388022 1.881139 0.897016
H 5.501069 0.860349 -0.094886
H 5.351547 -1.272623 -1.399753


%chk=000198836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198836

0 1
S -2.049102 2.055896 -0.790849
O -3.545994 2.685378 -0.990051
O -0.952031 2.919818 0.071788
N 2.273895 0.267386 -0.079747
N 0.983604 -1.631748 -0.242459
N 3.410846 -1.888503 -0.455093
C -1.280187 -0.686053 0.118665
C -2.311720 0.266655 -0.095753
C 0.178494 -0.500789 -0.036257
C 0.956335 0.674773 0.070440
C -1.717823 -1.979698 0.537828
C -3.674186 0.007081 0.130149
C 2.256514 -1.185435 -0.275898
C -1.329461 1.783685 -2.540075
C -3.075943 -2.269015 0.766114
C -4.062608 -1.274154 0.577021
C 3.476008 0.953936 -0.060147
C 4.645229 0.225493 -0.240523
C 4.568217 -1.197081 -0.437436
H 0.648161 1.702181 0.268043
H -0.943840 -2.740507 0.675451
H -4.405288 0.801020 -0.061857
H -2.077657 1.203467 -3.096831
H -1.200987 2.796199 -2.947600
H -0.375556 1.251433 -2.424632
H -3.364707 -3.272476 1.096107
H -5.119775 -1.489735 0.761341
H 3.443416 2.034639 0.098080
H 5.611570 0.733447 -0.230801
H 5.482479 -1.781893 -0.581814


