%chk=000248293.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248293

0 1
S 3.911416 -1.398071 -0.555901
O 2.416502 -0.735677 -0.144033
O 3.886261 -1.567026 -1.990622
O 4.103283 -2.543271 0.300866
O -7.976352 2.125612 0.719174
C 0.001817 -0.524897 -0.227388
C -1.112785 -1.622292 -0.268044
C -2.431539 -1.053666 0.265661
C -2.876483 0.077361 -0.709156
C 1.235736 -1.381274 -0.657035
C -0.401599 0.589196 -1.207865
C -0.464883 -2.834298 0.423363
C -1.779432 1.161040 -0.827632
C 1.018260 -2.769734 -0.007842
C -3.543009 -2.108606 0.351209
C 0.253614 0.058535 1.168153
C -4.220227 0.644863 -0.302584
C -4.796490 -1.494425 0.982894
C -5.127525 -0.119327 0.468039
C -4.607129 1.917814 -0.744449
C -6.383422 0.404786 0.798561
C -5.854131 2.460747 -0.427026
C -6.724955 1.686055 0.348171
C 4.928851 -0.100080 -0.091290
C 5.427902 -0.032574 1.215578
C 5.263523 0.895296 -1.018141
C 6.252933 1.024420 1.597272
C 6.088380 1.954295 -0.642455
C 6.587230 2.028269 0.670707
C 7.479880 3.153342 1.071990
H -1.281562 -1.911332 -1.338258
H -2.272351 -0.620221 1.281924
H -3.017302 -0.377941 -1.725534
H 1.341574 -1.441797 -1.761019
H -0.422253 0.205796 -2.244513
H 0.354807 1.395924 -1.200260
H -0.935141 -3.781492 0.118490
H -0.561892 -2.773748 1.520238
H -1.701278 1.709099 0.132236
H -2.078263 1.911825 -1.584373
H 1.693878 -2.904831 0.858755
H 1.267736 -3.581156 -0.710756
H -3.207222 -2.976099 0.949077
H -3.777216 -2.506200 -0.654609
H 1.128151 0.722694 1.148302
H -0.602956 0.631823 1.535501
H 0.473803 -0.727287 1.898938
H -4.666156 -1.431266 2.085866
H -5.660055 -2.174064 0.825876
H -3.922602 2.508826 -1.356965
H -7.098972 -0.157588 1.393455
H -6.132393 3.448058 -0.774668
H -8.167542 3.029941 0.373586
H 5.175983 -0.815989 1.940249
H 4.882643 0.839207 -2.044802
H 6.639237 1.070418 2.614010
H 6.347219 2.723594 -1.367833
H 7.397591 3.397715 2.140552
H 8.535135 2.898481 0.882357
H 7.269873 4.078098 0.516106


%chk=000248293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248293

0 1
S 3.996312 -1.484270 -0.527549
O 2.447634 -0.806811 0.288799
O 3.703647 -1.592905 -2.122029
O 4.526477 -2.776272 0.294726
O -8.240962 2.100154 0.196313
C -0.018040 -0.578855 0.216302
C -1.138727 -1.624083 -0.101460
C -2.538596 -1.101635 0.267284
C -2.818710 0.189472 -0.564893
C 1.211516 -1.431085 -0.224097
C -0.278287 0.694154 -0.620046
C -0.614696 -2.949509 0.514778
C -1.704017 1.258100 -0.364474
C 0.940777 -2.862987 0.333270
C -3.664121 -2.126008 0.012913
C 0.096287 -0.232591 1.724434
C -4.243282 0.718293 -0.324745
C -5.002331 -1.590164 0.558984
C -5.275713 -0.138201 0.169606
C -4.588775 2.056493 -0.642640
C -6.589542 0.358576 0.329565
C -5.898267 2.555672 -0.484018
C -6.904496 1.693356 0.008112
C 5.106068 -0.020269 -0.173640
C 5.861012 -0.034482 1.009393
C 5.153491 1.020077 -1.114953
C 6.709490 1.066779 1.255946
C 6.012748 2.106642 -0.844166
C 6.798647 2.147775 0.338802
C 7.740484 3.308207 0.600436
H -1.133200 -1.759286 -1.208745
H -2.557321 -0.844141 1.348161
H -2.761231 -0.126674 -1.633712
H 1.264707 -1.442318 -1.332992
H -0.175836 0.445748 -1.697566
H 0.476711 1.471435 -0.393370
H -1.041576 -3.834041 0.010744
H -0.887624 -3.020716 1.584681
H -1.777952 1.674952 0.658914
H -1.863628 2.105694 -1.057379
H 1.472188 -2.988105 1.292910
H 1.324843 -3.636716 -0.353717
H -3.426850 -3.092115 0.497271
H -3.743236 -2.318434 -1.077007
H 0.967448 0.425613 1.886489
H -0.802086 0.289661 2.093921
H 0.242432 -1.132173 2.347175
H -4.990393 -1.660829 1.667023
H -5.842552 -2.226908 0.221442
H -3.822731 2.736279 -1.029237
H -7.387612 -0.291526 0.705002
H -6.128331 3.597634 -0.742650
H -8.356446 3.047283 -0.064803
H 5.796730 -0.879755 1.701619
H 4.554361 0.972831 -2.029675
H 7.309392 1.084906 2.172858
H 6.072092 2.933235 -1.561291
H 7.881993 3.481245 1.681153
H 8.738971 3.106957 0.166283
H 7.368812 4.243540 0.147647


