%chk=000257650.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257650

0 1
S -0.182640 2.443245 1.022537
S 4.726238 0.335700 0.200026
O -0.831234 1.231301 -0.026631
O 4.082976 -0.916422 -0.823075
O -0.108395 1.823859 2.306313
O -0.935943 3.637813 0.787033
O 5.962864 0.641922 -0.440554
O 4.625188 -0.141935 1.543636
O -6.978474 0.059529 0.312986
O -1.535163 -3.572775 -0.905063
O -6.284907 -1.729279 -0.685243
O -0.974379 -4.095744 1.119056
N -6.099173 -0.642365 -0.163823
N -0.751104 -3.589970 0.033958
C 1.359031 2.510660 0.264983
C 3.556103 1.561537 -0.100366
C 2.329743 1.552281 0.571444
C 1.627871 3.504051 -0.688667
C 3.824327 2.556620 -1.052964
C 2.864948 3.531835 -1.338065
C -2.137161 0.834743 -0.007261
C 2.938728 -1.593021 -0.538766
C -3.177489 1.637200 0.487260
C -2.366891 -0.439419 -0.563628
C 2.170951 -1.953754 -1.667843
C 2.540549 -1.924359 0.766749
C -4.719739 -0.132849 -0.109826
C 0.547551 -2.926982 -0.166170
C -4.477047 1.140932 0.435135
C -3.666820 -0.925617 -0.608838
C 0.970097 -2.620220 -1.475627
C 1.341176 -2.606612 0.948726
H 2.126302 0.790287 1.343945
H 0.866992 4.262619 -0.924409
H 4.791745 2.570526 -1.577020
H 3.078496 4.310166 -2.074588
H -2.995456 2.639965 0.883974
H -1.533599 -1.024786 -0.952319
H 2.537580 -1.709453 -2.665055
H 3.174699 -1.693180 1.633025
H -5.317655 1.736818 0.813212
H -3.878281 -1.922325 -1.022726
H 0.340678 -2.904497 -2.327750
H 1.006316 -2.890346 1.954976


%chk=000257650-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257650

0 1
S -0.312850 2.182918 1.150359
S 4.937555 0.391667 0.234860
O -1.108288 1.118163 -0.381957
O 4.392169 -0.979859 -1.168986
O -0.126463 1.261141 2.470433
O -1.084059 3.610087 1.212536
O 6.354623 0.980708 -0.260489
O 4.698631 -0.288991 1.687708
O -7.467908 0.838927 -0.455379
O -1.325113 -3.485390 0.019518
O -6.965693 -1.342576 -0.009432
O -0.007704 -4.977804 1.133483
N -6.628475 -0.117857 -0.235990
N -0.169854 -3.931676 0.399799
C 1.357474 2.402472 0.309586
C 3.572956 1.658377 -0.061455
C 2.357049 1.465912 0.615097
C 1.524130 3.477115 -0.578668
C 3.819437 2.702026 -0.969705
C 2.780098 3.629638 -1.213281
C -2.462854 0.838217 -0.281729
C 3.288502 -1.714492 -0.776818
C -3.425124 1.866495 -0.511787
C -2.873362 -0.499181 -0.010281
C 2.019724 -1.411134 -1.356348
C 3.415841 -2.767235 0.177923
C -5.180183 0.214006 -0.246433
C 1.033974 -3.181865 -0.028847
C -4.793118 1.553382 -0.491143
C -4.241997 -0.817743 -0.009829
C 0.886646 -2.151079 -0.987226
C 2.283135 -3.510434 0.549090
H 2.205232 0.664289 1.346200
H 0.705894 4.182042 -0.756092
H 4.795711 2.792879 -1.456927
H 2.945117 4.464005 -1.901026
H -3.080749 2.887112 -0.701616
H -2.123035 -1.274147 0.172807
H 1.953728 -0.607184 -2.095392
H 4.397433 -2.977581 0.611024
H -5.561947 2.310908 -0.662446
H -4.591134 -1.836405 0.176494
H -0.096965 -1.939230 -1.412695
H 2.341415 -4.322923 1.277756


