%chk=000161681.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161681

0 1
 S   -2.935400     -0.9884000      0.3302000    
 S   -5.027300       3.102700     -0.3828000    
 O   -3.552000       2.401100     -0.3871000    
 O    1.218000      -2.253800     -0.4866000    
 O   -4.940500       4.401200      0.2540000    
 O   -6.024500       2.124100      8.9999998E-04
 N    5.787500       1.034400     -0.2333000    
 N    2.250900     -1.8400000E-02 -6.4499997E-02
 C    4.651700      0.1211000     -0.2462000    
 C    3.353600      0.8860000     -2.1800000E-02
 C  -0.1838000     -0.4832000      0.1200000    
 C   0.9120000      0.3977000      0.1388000    
 C   -1.471000      9.1000004E-03  0.3496000    
 C   -1.640900       1.382400      0.5959000    
 C    7.034700      0.3102000     -0.4870000    
 C    5.864500       1.744300       1.044900    
 C   8.6900003E-02  -1.915400     -0.1481000    
 C   0.7283000       1.757300      0.3863000    
 C  -0.9619000      -2.953200     -9.7000003E-03
 C  -0.5494000       2.250500      0.6154000    
 C   -2.305700      -2.640300      0.2103000    
 C   -2.986200       1.994300      0.8498000    
 C    6.977400     -0.4349000      -1.809800    
 C    7.004800       2.748200       1.047400    
 C  -0.5677000      -4.299400     -0.1076000    
 C   -3.237600      -3.685800      0.3293000    
 C   -1.503100      -5.325900      1.4400000E-02
 C   -2.839600      -5.019100      0.2334000    
 C   -5.143900       3.353100      -2.135800    
 H    4.761900     -0.6686000      0.5097000    
 H    4.550200     -0.3753000      -1.217800    
 H    3.254300       1.663000     -0.7901000    
 H    3.347100       1.345900      0.9692000    
 H    2.427500     -0.9985000     -0.2408000    
 H    7.873700       1.007800     -0.5768000    
 H    7.272100     -0.3930000      0.3212000    
 H    4.976800       2.358300       1.216300    
 H    5.967500       1.057400       1.894100    
 H    1.535200       2.482100      0.4112000    
 H  -0.6813000       3.313000      0.8025000    
 H   -2.873500       2.880400       1.488600    
 H   -3.670400       1.337600       1.395800    
 H    6.366000      -1.340900      -1.754800    
 H    6.605200      0.2008000      -2.620600    
 H    7.986200     -0.7597000      -2.089700    
 H    7.983800       2.269200       1.146000    
 H    7.001400       3.370100      0.1455000    
 H    6.900700       3.420600       1.906700    
 H   0.4712000      -4.572800     -0.2759000    
 H   -4.292200      -3.474900      0.4980000    
 H   -1.186800      -6.361900     -6.1500002E-02
 H   -3.573400      -5.813800      0.3283000    
 H   -6.102000       3.832300      -2.347500    
 H   -5.092700       2.383900      -2.635600    
 H   -4.324400       3.999100      -2.456100    


%chk=000161681-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161681

0 1
S -2.995670 -0.500557 0.388620
S -5.346857 2.685513 -0.707494
O -3.454074 2.661425 -0.611045
O 1.218934 -2.170296 -0.052910
O -5.914190 4.182902 -0.941675
O -5.930324 1.777413 0.510102
N 6.013747 0.746451 -0.013286
N 2.291308 0.138327 0.093791
C 4.742790 -0.002971 -0.140515
C 3.529910 0.923820 0.091698
C -0.144960 -0.201888 0.253311
C 1.038883 0.669605 0.252607
C -1.424298 0.424139 0.417124
C -1.574323 1.826148 0.600995
C 7.078870 0.261887 -0.933040
C 6.472180 0.862755 1.399601
C 0.036641 -1.656848 0.105662
C 0.869541 2.079653 0.423216
C -1.108751 -2.609716 0.147985
C -0.401858 2.626708 0.589741
C -2.467221 -2.226410 0.275987
C -2.911534 2.492237 0.776786
C 6.851899 0.692277 -2.394376
C 7.345990 2.106657 1.648861
C -0.812562 -4.001253 0.053590
C -3.502960 -3.194785 0.308339
C -1.829096 -4.967430 0.085305
C -3.183443 -4.561166 0.213779
C -5.415923 1.717371 -2.338813
H 4.689498 -0.867446 0.567485
H 4.671860 -0.425465 -1.159147
H 3.517142 1.692872 -0.706205
H 3.650463 1.461440 1.055577
H 2.297982 -0.900439 -0.016691
H 8.037151 0.688930 -0.586471
H 7.190837 -0.850601 -0.877411
H 5.574171 0.929979 2.042208
H 7.020025 -0.058061 1.723621
H 1.745663 2.731490 0.423670
H -0.511105 3.710279 0.716690
H -2.798901 3.488676 1.239078
H -3.630791 1.889684 1.367505
H 5.907632 0.288581 -2.803472
H 6.809184 1.793021 -2.464299
H 7.675152 0.327080 -3.036433
H 8.272809 2.089108 1.047006
H 6.788562 3.022048 1.384527
H 7.640781 2.164220 2.713344
H 0.241566 -4.276647 -0.044780
H -4.545686 -2.876010 0.414454
H -1.579479 -6.030882 0.012865
H -3.984591 -5.307459 0.243086
H -6.479327 1.636294 -2.603135
H -4.946260 0.748046 -2.127871
H -4.843086 2.311292 -3.062943


