%chk=000262331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262331

0 1
S 5.847330 0.497555 -1.503142
S -5.847325 0.498342 1.502990
O 4.888070 0.325122 -0.088581
O -4.888083 0.325301 0.088491
O 5.654116 1.849634 -1.945337
O 5.505342 -0.609339 -2.358225
O -5.654081 1.850604 1.944613
O -5.505338 -0.608198 2.358531
C 0.737841 0.320663 -0.029277
C -0.737857 0.320697 0.029183
C 7.373712 0.281322 -0.767534
C -7.373717 0.281823 0.767490
C 3.512836 0.328488 -0.145306
C -3.512851 0.328653 0.145210
C 1.483501 0.916212 1.003811
C -1.483500 0.915839 -1.004152
C 1.401254 -0.273491 -1.115356
C -1.401288 -0.272984 1.115510
C 2.875469 0.929241 0.953282
C -2.875467 0.928931 -0.953628
C 2.795192 -0.280443 -1.182278
C -2.795226 -0.279867 1.182435
C 7.920795 -1.003629 -0.648230
C -7.920822 -1.003176 0.648740
C 8.080240 1.388085 -0.276943
C -8.080234 1.388382 0.276436
C 9.874760 -0.074430 0.450513
C -9.874786 -0.074409 -0.450376
C 9.164222 -1.182777 -0.045358
C -9.164253 -1.182560 0.045962
C 9.323928 1.214234 0.326772
C -9.323937 1.214292 -0.327193
C 11.209905 -0.261945 1.086305
C -11.209935 -0.262277 -1.086055
H 0.967270 1.379692 1.845064
H -0.967255 1.378954 -1.845598
H 0.822975 -0.743110 -1.911903
H -0.823024 -0.742289 1.912252
H 3.471487 1.387655 1.738400
H -3.471472 1.387036 -1.738936
H 3.305779 -0.763644 -2.020243
H -3.305830 -0.762700 2.020601
H 7.373237 -1.871535 -1.035207
H -7.373269 -1.870922 1.036083
H 7.657402 2.395607 -0.372939
H -7.657384 2.395940 0.371995
H 9.584760 -2.183408 0.042512
H -9.584819 -2.183217 -0.041481
H 9.868882 2.078289 0.703938
H -9.868873 2.078203 -0.704717
H 11.424673 0.498376 1.850937
H 11.312270 -1.241832 1.574348
H 12.012323 -0.194158 0.333806
H -11.426033 0.499299 -1.849051
H -11.311162 -1.241315 -1.576054
H -12.012149 -0.197116 -0.333107


%chk=000262331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262331

0 1
S 5.987744 1.521766 -0.441155
S -5.987743 1.522034 0.440659
O 4.965008 -0.128500 0.235897
O -4.965029 -0.128544 -0.235653
O 5.768936 2.770722 0.579493
O 5.674120 1.689171 -2.030522
O -5.768833 2.770559 -0.580493
O -5.674202 1.690091 2.029974
C 0.740599 -0.019612 0.029883
C -0.740620 -0.019613 -0.029653
C 7.702724 0.812876 -0.206539
C -7.702733 0.813100 0.206244
C 3.593091 -0.045193 0.150647
C -3.593110 -0.045218 -0.150429
C 1.427388 0.291865 1.243539
C -1.427394 0.291261 -1.243472
C 1.522603 -0.329310 -1.125238
C -1.522638 -0.328723 1.125617
C 2.828540 0.298558 1.304602
C -2.828545 0.297947 -1.304548
C 2.924005 -0.342836 -1.073856
C -2.924040 -0.342261 1.074228
C 8.265165 0.071729 -1.258254
C -8.265259 0.072400 1.258239
C 8.354910 1.050617 1.014057
C -8.354837 1.050353 -1.014481
C 10.271971 -0.237704 0.144478
C -10.271989 -0.237551 -0.144488
C 9.562886 -0.450019 -1.068127
C -9.562974 -0.449385 1.068255
C 9.651526 0.516875 1.175925
C -9.651469 0.516575 -1.176205
C 11.677165 -0.781086 0.322841
C -11.677185 -0.780997 -0.322639
H 0.853527 0.575619 2.131957
H -0.853519 0.574551 -2.132028
H 1.021281 -0.597382 -2.061089
H -1.021331 -0.596333 2.061608
H 3.358434 0.560284 2.225770
H -3.358429 0.559218 -2.225852
H 3.524395 -0.589447 -1.954923
H -3.524440 -0.588429 1.955412
H 7.715909 -0.078116 -2.192790
H -7.716056 -0.077072 2.192866
H 7.872071 1.640875 1.798964
H -7.871940 1.640270 -1.799609
H 10.028650 -1.031350 -1.871837
H -10.028802 -1.030376 1.872178
H 10.186414 0.687404 2.117054
H -10.186295 0.686725 -2.117435
H 11.894827 -1.005492 1.381268
H 11.834074 -1.702421 -0.264048
H 12.428542 -0.042502 -0.017781
H -11.895824 -1.003236 -1.381312
H -11.833210 -1.703631 0.262460
H -12.428460 -0.043403 0.020342


