%chk=000152041.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152041

0 1
 S    1.021100      0.9659000      0.5830000    
 O    2.425200       3.916900      0.6081000    
 O   -1.066400      -2.699800      -1.770600    
 O    2.899200      -2.311000      0.8471000    
 O   -4.193200      -1.273800      -1.059000    
 O   -5.048300      -2.305400      0.7702000    
 O    4.618700      0.8006000      0.5042000    
 O    6.744400      2.2500001E-02  0.6591000    
 N   0.3615000      -2.143500     -2.5100000E-02
 N    3.752100      -1.165500     -0.9813000    
 N   -3.309000     -0.2789000       2.015600    
 C    1.353800      -1.452300     -0.8154000    
 C    1.032000      3.4600001E-02 -0.9839000    
 C   0.5326000       2.573900     -7.9200000E-02
 C   -1.646200      -3.364900      0.4842000    
 C   -2.120300      -2.366700       1.542500    
 C  -0.7760000      -2.714100     -0.5776000    
 C   -2.890700      -1.184900      0.9431000    
 C    2.733100      -1.709000     -0.2119000    
 C  -0.9630000       2.618400     -0.3128000    
 C    1.035600       3.700600      0.8315000    
 C   -1.496400       2.141200      -1.510100    
 C   -1.807400       3.136200      0.6694000    
 C   -4.157300      -1.648400      0.2465000    
 C    5.143900      -1.254900     -0.6062000    
 C   -2.874000       2.181900      -1.725400    
 C   -3.185100       3.176800      0.4542000    
 C   -3.718200       2.699600     -0.7433000    
 C    5.598300     -9.6000001E-02  0.2432000    
 H    1.358700      -1.912400      -1.812600    
 H    1.741500      0.5121000      -1.666200    
 H   4.1999999E-02  8.2400002E-02  -1.435600    
 H    1.038000       2.707500      -1.044800    
 H   -1.066600      -4.163500      0.9618000    
 H   -2.498600      -3.841700     -1.2300000E-02
 H   -1.266800      -1.992800       2.121200    
 H   -2.756300      -2.909500       2.254700    
 H   0.5250000      -2.220900      0.9741000    
 H   -2.264600     -0.6256000      0.2406000    
 H   0.5382000       4.647100      0.5898000    
 H   0.8786000       3.494100       1.896400    
 H    3.529900     -0.6972000      -1.854300    
 H  -0.8578000       1.782000      -2.311200    
 H   -1.430800       3.498800       1.620800    
 H   -2.486600      7.1099997E-02   2.506000    
 H   -3.767300      0.5379000       1.613500    
 H    5.728200      -1.259900      -1.530500    
 H    5.310100      -2.181800     -4.9400002E-02
 H   -3.288500       1.819900      -2.661700    
 H   -3.843400       3.574900       1.220600    
 H   -4.790800       2.731100     -0.9108000    
 H    2.698700       4.643600       1.193600    
 H   -5.008300      -1.586200      -1.506600    
 H    4.938600       1.544000       1.058500    


%chk=000152041-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152041

0 1
S 1.174551 0.688393 0.544135
O 3.177431 3.269558 0.439873
O -1.091519 -2.534983 -1.356256
O 3.136618 -2.286157 1.093836
O -5.873474 -2.089464 -0.081311
O -4.715195 -3.878318 0.827273
O 4.349533 1.457173 -0.945389
O 4.919715 1.288557 1.300020
N 0.648411 -2.501355 0.170910
N 3.976303 -1.273364 -0.835552
N -4.012853 -0.347216 0.837446
C 1.563280 -1.817693 -0.741234
C 1.109949 -0.360825 -1.040489
C 0.910578 2.417491 -0.236592
C -1.545947 -3.319202 0.934567
C -2.458632 -2.182084 1.485429
C -0.654380 -2.786727 -0.181356
C -3.547945 -1.708713 0.487709
C 2.965495 -1.835150 -0.078036
C -0.560235 2.801555 -0.318578
C 1.722630 3.460448 0.571475
C -1.103086 3.274792 -1.539796
C -1.399970 2.736046 0.824645
C -4.722058 -2.681146 0.466362
C 5.161565 -0.684806 -0.187164
C -2.457567 3.673900 -1.620310
C -2.751219 3.137168 0.747662
C -3.284678 3.608321 -0.476612
C 4.836304 0.777728 0.150805
H 1.581399 -2.348776 -1.715555
H 1.781742 0.116864 -1.775820
H 0.081523 -0.381142 -1.431638
H 1.344987 2.364140 -1.252206
H -0.937177 -3.727115 1.762528
H -2.175608 -4.135291 0.542354
H -1.836610 -1.305154 1.749017
H -2.945773 -2.525128 2.414831
H 1.040035 -2.729829 1.092902
H -3.113912 -1.773490 -0.541945
H 1.505593 4.464204 0.166367
H 1.435542 3.445414 1.639750
H 3.732198 -0.871115 -1.743996
H -0.467622 3.327863 -2.432737
H -1.002004 2.337326 1.765192
H -3.288398 0.363241 0.683410
H -4.898377 -0.098200 0.383761
H 6.035033 -0.742321 -0.858250
H 5.370191 -1.230092 0.744308
H -2.865245 4.029353 -2.573078
H -3.388020 3.080311 1.637471
H -4.334798 3.914418 -0.537779
H 3.590982 2.806064 1.225129
H -6.603841 -2.765001 -0.110123
H 3.885656 2.334527 -0.621666


