%chk=000268170.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268170

0 1
S -0.971982 1.571713 0.840524
O 0.385264 0.722434 0.330459
O -1.017828 2.799545 0.081018
O -0.875739 1.632767 2.281679
C 2.665876 0.036381 0.559687
C 2.801009 -0.363319 -0.929691
C 1.690556 1.223795 0.724251
C 3.266389 0.847016 -1.761732
C 2.209730 -1.167206 1.403631
C 3.781247 -1.542056 -1.080008
C 2.073282 2.417211 -0.161058
C 2.273388 2.008004 -1.625231
C 3.174655 -2.348797 1.244866
C 3.336666 -2.740630 -0.230748
C -2.192844 0.480477 0.334634
C -2.639950 -0.522929 1.203367
C -2.744984 0.590325 -0.947613
C -3.630387 -1.414465 0.793998
C -3.735629 -0.298526 -1.362793
C -4.183795 -1.310408 -0.494917
C -5.252220 -2.254830 -0.931506
H 3.663657 0.378661 0.930090
H 1.791381 -0.680028 -1.291499
H 1.624411 1.524836 1.796747
H 3.362876 0.559729 -2.824640
H 4.274061 1.169467 -1.440965
H 1.187760 -1.463449 1.092147
H 2.131674 -0.879939 2.468041
H 4.799927 -1.229933 -0.782821
H 3.850904 -1.839680 -2.142152
H 2.995497 2.882238 0.235529
H 1.286892 3.202128 -0.107158
H 2.619302 2.877854 -2.213229
H 1.293518 1.713552 -2.053433
H 2.806666 -3.214111 1.826603
H 4.161347 -2.088786 1.673556
H 4.070578 -3.561925 -0.325038
H 2.378506 -3.137507 -0.618091
H -2.216334 -0.604510 2.211404
H -2.403823 1.381295 -1.625916
H -3.975665 -2.190816 1.474385
H -4.162454 -0.207018 -2.359957
H -5.169893 -3.238503 -0.447995
H -6.248632 -1.856838 -0.680330
H -5.242663 -2.430717 -2.016499


%chk=000268170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268170

0 1
S -1.141433 1.841816 0.410480
O 0.382848 0.911321 -0.144259
O -1.416402 3.102330 -0.569400
O -1.015297 2.063767 2.015789
C 2.535649 0.065275 0.588902
C 3.009446 -0.305158 -0.844973
C 1.628822 1.322782 0.576502
C 3.686688 0.909101 -1.527586
C 1.876621 -1.136628 1.307413
C 3.942486 -1.539186 -0.801001
C 2.283720 2.522601 -0.133513
C 2.762585 2.148846 -1.554985
C 2.816783 -2.364097 1.333811
C 3.279560 -2.744093 -0.093213
C -2.374548 0.483099 0.041636
C -2.561768 -0.519025 1.006872
C -3.068679 0.530536 -1.176655
C -3.503532 -1.530958 0.722841
C -4.004522 -0.495359 -1.434820
C -4.234455 -1.535730 -0.495927
C -5.264255 -2.614819 -0.774005
H 3.438303 0.363551 1.171479
H 2.104385 -0.571902 -1.432500
H 1.344636 1.583032 1.617916
H 3.988168 0.636064 -2.558569
H 4.620646 1.156104 -0.977556
H 0.939948 -1.397125 0.777185
H 1.594421 -0.846968 2.340131
H 4.875983 -1.267772 -0.262273
H 4.240778 -1.815311 -1.832305
H 3.147455 2.851489 0.480728
H 1.570794 3.367778 -0.170576
H 3.286432 3.010194 -2.011807
H 1.877312 1.935666 -2.184821
H 2.306000 -3.222327 1.812716
H 3.707669 -2.134744 1.955369
H 3.982791 -3.598892 -0.052953
H 2.401170 -3.076534 -0.684116
H -2.002901 -0.499843 1.947809
H -2.889683 1.343627 -1.887183
H -3.671929 -2.327352 1.456574
H -4.561361 -0.486478 -2.378569
H -4.987072 -3.572332 -0.300102
H -6.254267 -2.324193 -0.372324
H -5.387797 -2.789649 -1.856565


