%chk=000160714.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160714

0 1
 S   -2.543200       2.430900       1.155400    
 O   -2.309200     -0.5678000       1.766300    
 O   0.4140000      0.7485000     -0.1784000    
 O   0.2820000      7.2899997E-02   2.020800    
 N    4.079000      0.3474000     -9.4800003E-02
 C   -1.673100      -1.347700     -0.3868000    
 C   -3.075400      -1.883000     -0.6578000    
 C  -0.9599000      -2.573600      0.1750000    
 C   -2.833400      -3.278100      -1.224600    
 C   -1.476900      -3.727500     -0.6787000    
 C   -1.657900     -0.1601000      0.5597000    
 C   -2.394700       1.096900      9.2299998E-02
 C  -0.2182000      0.2199000      0.9118000    
 C   -2.994300       1.336400      -1.124700    
 C    1.770800       1.152800      2.9400000E-02
 C   -3.583000       2.632400      -1.185100    
 C    2.683700     -2.3900000E-02 -0.2764000    
 C   -3.411300       3.333900     -1.2100000E-02
 C    4.562600       1.121800      -1.240500    
 C    4.911200     -0.8426000      9.7999997E-02
 C    5.997800       1.574100      -1.031100    
 C    4.429300      -1.663500       1.282100    
 H   -1.203600      -1.080400      -1.344500    
 H   -3.664100      -1.973700      0.2629000    
 H   -3.662200      -1.291100      -1.361900    
 H   0.1300000      -2.491200      0.1150000    
 H   -1.222700      -2.757400       1.223500    
 H   -3.634700      -3.968800     -0.9430000    
 H   -2.798000      -3.244600      -2.319700    
 H  -0.7901000      -3.926500      -1.509500    
 H   -1.559100      -4.649200     -9.3800001E-02
 H   -2.289900      0.1764000       2.392600    
 H   -2.993500      0.6523000      -1.961400    
 H    1.940600       1.987400     -0.6568000    
 H    1.923100       1.541100       1.044200    
 H   -4.098300       3.033400      -2.048200    
 H    2.354300     -0.8216000      0.3934000    
 H    2.488300     -0.4113000      -1.285800    
 H   -3.752000       4.334400      0.2143000    
 H    3.961300       2.028000      -1.368400    
 H    4.491300      0.5529000      -2.176300    
 H    5.940200     -0.5552000      0.3370000    
 H    4.941100      -1.473100     -0.7996000    
 H    6.254100       2.333800      -1.778400    
 H    6.717200      0.7593000      -1.157400    
 H    6.141000       2.027300     -4.4199999E-02
 H    5.231000      -2.338600       1.604400    
 H    3.577800      -2.305100       1.035700    
 H    4.173700      -1.036000       2.143000    


%chk=000160714-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160714

0 1
S -3.773572 1.227037 1.664653
O -2.088156 -1.116735 1.775569
O 0.437581 0.476491 -0.343407
O 0.440360 -0.235107 1.876283
N 4.219293 0.108991 -0.350046
C -1.865353 -1.284204 -0.665840
C -3.336514 -1.741323 -0.848850
C -1.032267 -2.607069 -0.629965
C -3.200201 -2.969490 -1.779007
C -1.966138 -3.721989 -1.208131
C -1.654663 -0.380019 0.587088
C -2.437982 0.924185 0.486135
C -0.151983 -0.045317 0.781549
C -2.334265 1.958643 -0.432672
C 1.886333 0.872557 -0.223535
C -3.299060 3.012817 -0.228903
C 2.810841 -0.342891 -0.428981
C -4.141772 2.781663 0.846699
C 4.963501 0.028618 -1.633967
C 4.957198 -0.419324 0.825864
C 6.133827 1.027222 -1.724313
C 4.401542 0.096371 2.167457
H -1.565617 -0.681837 -1.544829
H -3.750301 -2.046924 0.130029
H -3.980361 -0.945603 -1.261936
H -0.104361 -2.502052 -1.221686
H -0.744111 -2.848741 0.409092
H -4.110230 -3.595737 -1.798611
H -3.001185 -2.636909 -2.817259
H -1.461040 -4.341543 -1.971004
H -2.289170 -4.399529 -0.396221
H -1.378657 -1.002638 2.469242
H -1.580249 1.969208 -1.223164
H 2.023222 1.622129 -1.017498
H 2.050832 1.323833 0.768429
H -3.359322 3.906106 -0.855943
H 2.589443 -1.101249 0.347155
H 2.590742 -0.809101 -1.410464
H -4.952327 3.400725 1.227903
H 4.247795 0.258849 -2.445505
H 5.341047 -1.007965 -1.826559
H 6.010786 -0.100416 0.732963
H 4.959234 -1.539503 0.830162
H 6.599295 0.979484 -2.726338
H 6.923696 0.813807 -0.982111
H 5.769814 2.054909 -1.550103
H 4.991799 -0.316276 3.006554
H 3.348177 -0.200232 2.322837
H 4.459203 1.198681 2.208084


