%chk=000276725.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276725

0 1
S -0.791861 -2.258476 0.314817
S -4.115352 1.192103 0.004939
O 3.561424 -0.456422 -0.994250
O 0.700895 0.642700 0.013546
O 3.874780 1.016141 0.755015
O 0.988852 2.935535 0.236283
O 0.471091 -2.580444 0.949946
O -1.724264 -1.392812 1.017481
O -3.374183 0.168282 -1.130526
O -5.398108 1.481990 -0.572294
O -3.160669 2.252844 0.247311
N -0.431684 -1.663388 -1.262894
C 2.720147 0.665388 -1.289893
C 2.898546 1.629693 -0.085012
C 1.214591 0.291425 -1.299797
C 1.514618 1.672764 0.611703
C 4.054874 -0.383440 0.381354
C 0.955336 -1.207379 -1.509520
C 3.244414 -1.273891 1.287649
C 5.544503 -0.649559 0.331666
C -1.499970 -0.953602 -2.002956
C -0.298261 3.264875 0.809872
C -1.972019 0.375213 -1.385616
C -1.637800 -3.741158 -0.059852
C -4.275386 0.179102 1.387332
H 3.080107 1.045629 -2.262964
H 3.290502 2.639454 -0.317145
H 0.663723 0.923966 -2.029339
H 1.477443 1.478789 1.695595
H 1.658474 -1.795625 -0.856213
H 1.229400 -1.471053 -2.558580
H 2.152866 -1.143311 1.148580
H 3.449898 -1.067914 2.344654
H 3.434936 -2.338835 1.106112
H 5.762327 -1.534129 -0.280974
H 6.080199 0.200223 -0.115082
H 5.960299 -0.810718 1.333236
H -1.159293 -0.785736 -3.049774
H -2.384145 -1.635758 -2.084478
H -0.536275 4.221299 0.331030
H -1.048280 2.507413 0.537547
H -0.210296 3.371397 1.892378
H -1.887615 1.221425 -2.091406
H -1.434363 0.633383 -0.443757
H -1.471955 -4.520144 0.700774
H -2.727871 -3.614281 -0.126170
H -1.326466 -4.198448 -1.011519
H -4.297320 0.725489 2.341531
H -3.409906 -0.525608 1.505383
H -5.168003 -0.460893 1.377277


%chk=000276725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276725

0 1
S -0.794114 -2.419404 0.103868
S -4.092568 0.876821 0.430587
O 3.660907 -0.563285 -0.851805
O 0.788814 0.653741 -0.040410
O 3.975741 1.118891 0.766116
O 1.058827 3.065246 -0.115261
O 0.516240 -3.334814 0.411621
O -1.348492 -1.491868 1.330106
O -3.272347 -0.315661 -0.798274
O -5.606622 1.133898 -0.066746
O -3.076715 2.125049 0.646570
N -0.399214 -1.638918 -1.563795
C 2.849733 0.577332 -1.300409
C 2.992531 1.654845 -0.174799
C 1.325650 0.278226 -1.372646
C 1.569344 1.826247 0.416450
C 4.079070 -0.354035 0.569431
C 1.009919 -1.200146 -1.657869
C 3.156033 -1.109875 1.533694
C 5.550812 -0.739569 0.687255
C -1.456631 -0.874208 -2.260261
C -0.164147 3.554545 0.552223
C -2.141735 0.303815 -1.526654
C -2.231600 -3.540275 -0.439266
C -4.070726 -0.266778 1.941906
H 3.252294 0.898983 -2.274988
H 3.368366 2.627730 -0.524208
H 0.876174 0.948878 -2.136577
H 1.536292 1.798657 1.521359
H 1.608018 -1.840774 -0.986654
H 1.347778 -1.433637 -2.687982
H 2.109713 -0.778187 1.438730
H 3.492319 -0.940618 2.571650
H 3.188358 -2.192415 1.322648
H 5.674869 -1.817633 0.489305
H 6.147932 -0.167204 -0.040222
H 5.916386 -0.521887 1.705077
H -0.968820 -0.475833 -3.171823
H -2.246154 -1.567286 -2.605764
H -0.403127 4.511515 0.064049
H -1.009803 2.854086 0.438096
H 0.030992 3.725371 1.630066
H -2.530431 1.029446 -2.266813
H -1.444554 0.800374 -0.828922
H -2.423286 -4.190181 0.426091
H -3.077475 -2.875722 -0.661284
H -1.870694 -4.100501 -1.311351
H -4.326158 0.371982 2.799136
H -3.048940 -0.681921 1.968958
H -4.835856 -1.029550 1.742793


