%chk=000257580.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257580

0 1
S -1.356024 -1.182003 0.837431
O -0.257308 1.900367 0.547725
O 0.772298 0.927981 2.316093
C 0.198007 -0.381595 0.312331
C 1.341272 -1.366645 0.544674
C 2.633287 -0.839119 -0.025498
C 0.298760 0.828100 1.211165
C 3.033792 -1.198695 -1.320323
C 3.440796 0.014497 0.741600
C -2.503933 -0.779228 -0.438345
C 4.236548 -0.711108 -1.839983
C 4.641395 0.498317 0.217310
C 5.042229 0.136260 -1.073347
C -3.289719 -1.824729 -0.930482
C -2.670082 0.531940 -0.886394
C -0.355752 3.175386 1.260644
C -4.268264 -1.543549 -1.889927
C -3.643465 0.799955 -1.854192
C -4.442690 -0.234726 -2.353048
C -1.524441 3.131743 2.221627
H 0.153761 -0.073877 -0.763184
H 1.092727 -2.351316 0.091216
H 1.461953 -1.571440 1.634116
H 2.411959 -1.857872 -1.922492
H 3.124722 0.303050 1.746839
H 4.545916 -0.993437 -2.844870
H 5.266520 1.158917 0.816184
H 5.978591 0.513091 -1.479078
H -3.148652 -2.847010 -0.577975
H -2.051840 1.344566 -0.488980
H 0.606720 3.368030 1.767518
H -0.504324 3.874347 0.417937
H -4.891874 -2.346934 -2.279075
H -3.780885 1.817684 -2.216292
H -5.202376 -0.021046 -3.103512
H -1.715193 4.113793 2.669323
H -2.446793 2.802040 1.726031
H -1.335438 2.424764 3.044731


%chk=000257580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257580

0 1
S -1.501723 -1.193851 0.981697
O -0.254259 2.004931 0.652514
O 0.876895 0.942539 2.397691
C 0.147354 -0.355892 0.426618
C 1.314934 -1.354873 0.600391
C 2.613636 -0.820547 0.002685
C 0.316088 0.895545 1.278917
C 2.882755 -0.986194 -1.381312
C 3.565285 -0.140124 0.805401
C -2.601474 -0.872125 -0.464915
C 4.074295 -0.485676 -1.952009
C 4.759121 0.359829 0.237261
C 5.017647 0.189796 -1.142697
C -3.444022 -1.929771 -0.885937
C -2.661097 0.389542 -1.104476
C -0.245932 3.285888 1.431850
C -4.353565 -1.720014 -1.947695
C -3.557297 0.580081 -2.181366
C -4.409113 -0.467737 -2.602984
C -1.434979 3.340560 2.394635
H 0.001199 -0.081405 -0.629673
H 1.022841 -2.297081 0.103322
H 1.440440 -1.564773 1.677543
H 2.159587 -1.519888 -2.011637
H 3.361952 -0.000294 1.873269
H 4.269867 -0.626585 -3.021201
H 5.487227 0.879156 0.870803
H 5.944827 0.575039 -1.582006
H -3.381066 -2.907168 -0.395579
H -2.025807 1.211947 -0.758537
H 0.714733 3.355144 1.971374
H -0.301582 4.061334 0.651532
H -5.005708 -2.539781 -2.269040
H -3.597690 1.555228 -2.679876
H -5.107489 -0.310686 -3.432282
H -1.452986 4.320858 2.906177
H -2.389223 3.214305 1.854742
H -1.353470 2.553242 3.162299


