%chk=000276734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276734

0 1
S -1.310191 0.017196 -0.756840
O 2.268181 -1.222334 -0.588539
O 3.648007 0.500367 -1.186501
O 1.670102 1.851724 0.954112
O -0.475382 2.274565 0.380150
O -2.196443 1.550221 1.652843
C 3.620360 -0.729581 -0.409095
C 1.382214 -0.162752 -1.024581
C 2.317022 1.043583 -1.299600
C 3.903783 -0.414749 1.058300
C 4.584928 -1.699687 -1.087042
C 0.315965 -0.009121 0.061446
C 4.135410 -1.696008 1.863268
C 4.815377 -2.946062 -0.225977
C 2.182554 2.231732 -0.344777
C 5.209412 -2.577674 1.210702
C 0.404624 1.243913 0.938055
C -2.316809 -1.112787 0.267143
C -1.803461 2.266047 0.757882
C -3.693003 -0.972072 -0.294689
C -2.553533 3.273299 -0.036625
C -4.111491 -1.778836 -1.364614
C -4.575319 -0.023992 0.249920
C -5.403014 -1.638966 -1.879976
C -5.864535 0.108746 -0.269018
C -6.281125 -0.697681 -1.333835
H 0.950940 -0.561674 -1.974625
H 2.263314 1.383259 -2.358556
H 3.065714 0.175388 1.485939
H 4.790140 0.248277 1.113016
H 5.539112 -1.170492 -1.282795
H 4.182723 -1.984958 -2.079387
H 0.405790 -0.914476 0.723134
H 3.184251 -2.260281 1.939544
H 4.428691 -1.439861 2.898277
H 5.597788 -3.577278 -0.686710
H 3.889756 -3.557323 -0.214239
H 3.176221 2.646221 -0.078512
H 1.526648 3.021353 -0.753830
H 6.182821 -2.051148 1.212859
H 5.356714 -3.496759 1.807771
H 0.160831 1.082716 2.011312
H -2.270516 -0.795106 1.332469
H -1.931399 -2.146386 0.207470
H -3.294547 2.773787 -0.685297
H -1.895922 3.869509 -0.689093
H -3.103647 3.964080 0.620334
H -3.431323 -2.511034 -1.796642
H -4.245784 0.607398 1.080890
H -5.725202 -2.266154 -2.709597
H -6.548144 0.840144 0.158877
H -7.286903 -0.593397 -1.735419


%chk=000276734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276734

0 1
S -1.154086 -0.590549 -0.447091
O 2.279872 -0.797991 0.391418
O 3.726372 1.072844 0.349761
O 0.537690 2.414652 1.891982
O -0.426058 2.509149 -0.289852
O -2.741545 2.752576 -0.047131
C 3.695101 -0.419410 0.177813
C 1.470580 0.350468 -0.067472
C 2.337386 1.572378 0.357645
C 4.543995 -1.078460 1.268541
C 4.164822 -0.774047 -1.245273
C 0.105528 0.307614 0.647462
C 4.646772 -2.609557 1.062413
C 4.261653 -2.306690 -1.439358
C 1.972086 2.021861 1.782302
C 5.159206 -2.952438 -0.356940
C -0.355781 1.731120 1.003097
C -2.518855 -0.958071 0.856724
C -1.692247 2.962325 -0.695910
C -3.828498 -1.235024 0.157464
C -1.588248 3.693098 -2.014108
C -4.246190 -2.567837 -0.088060
C -4.655726 -0.160784 -0.266627
C -5.472023 -2.828117 -0.741855
C -5.881208 -0.422001 -0.917012
C -6.293430 -1.754889 -1.156922
H 1.350342 0.332500 -1.167257
H 2.250766 2.403685 -0.360349
H 4.105796 -0.835185 2.253109
H 5.550705 -0.620050 1.227799
H 5.156024 -0.304642 -1.397173
H 3.477057 -0.325018 -1.986164
H 0.223956 -0.268619 1.583058
H 3.646575 -3.061509 1.210610
H 5.316512 -3.039757 1.831047
H 4.652555 -2.527508 -2.450701
H 3.244897 -2.741723 -1.378276
H 2.173165 1.193485 2.488748
H 2.542030 2.911828 2.088184
H 6.199899 -2.583715 -0.472676
H 5.189665 -4.050137 -0.494368
H -1.354506 1.777511 1.464306
H -2.592439 -0.061987 1.494153
H -2.175388 -1.817664 1.454633
H -1.418618 2.959737 -2.823291
H -0.733801 4.389137 -2.007851
H -2.523594 4.235886 -2.212915
H -3.609936 -3.401634 0.233656
H -4.330667 0.871797 -0.090789
H -5.785309 -3.862321 -0.923850
H -6.515387 0.412845 -1.236041
H -7.245768 -1.954264 -1.661312


