%chk=000160177.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160177

0 1
 S    5.430400      0.3883000      0.4740000    
 O   0.2545000       3.816800      0.3394000    
 O    6.258600      0.1767000     -0.9196000    
 O    5.138200       1.810400      0.5823000    
 O    6.146000     -0.3045000       1.534200    
 N   -2.883000      0.9332000      0.1841000    
 N   -1.275300     -0.7567000     -5.7399999E-02
 N   -3.614800      -1.249900     -0.2602000    
 N   0.2862000      -2.487900     -0.3126000    
 N   -1.993300      -3.000300     -0.5143000    
 N   0.2023000       3.995900      -1.951700    
 C   -4.276900       1.379600      0.1867000    
 C   -1.845000       1.909900      0.4171000    
 C   -4.928700       1.107000       1.538300    
 C   -1.350200       2.483800     -0.9043000    
 C   -2.578300     -0.4141000     -5.3800002E-02
 C   -6.369200       1.594800       1.608200    
 C  -0.2268000       3.492400     -0.7422000    
 C   -1.059600      -2.060900     -0.2932000    
 C   -3.247600      -2.522100     -0.4829000    
 C    1.503900      -1.807400     -0.1267000    
 C    3.920100     -0.4565000      0.2429000    
 C    2.604600      -2.476000      0.4130000    
 C    1.615100     -0.4613000     -0.4809000    
 C    3.811400      -1.801200      0.5975000    
 C    2.821800      0.2134000     -0.2964000    
 C   -4.344400      -3.503500     -0.7214000    
 H   -4.845300      0.9069000     -0.6241000    
 H   -4.319100       2.456900     -1.9600000E-02
 H   -2.230800       2.726800       1.041400    
 H   -1.013100       1.487100      0.9947000    
 H   -4.911400      3.4400001E-02   1.763200    
 H   -4.350800       1.597500       2.331500    
 H   -2.176700       2.980100      -1.428700    
 H  -0.9905000       1.682700      -1.561000    
 H   -6.986700       1.095400      0.8551000    
 H   -6.794700       1.382700       2.593900    
 H   -6.424500       2.674700       1.438200    
 H   0.3722000      -3.498700     -0.3608000    
 H    2.533500      -3.524100      0.6927000    
 H   0.8025000      8.5100003E-02 -0.9465000    
 H    4.654900      -2.345800       1.012100    
 H    2.888300       1.255900     -0.5951000    
 H   -4.487200      -3.643800      -1.796900    
 H   -4.101400      -4.470200     -0.2694000    
 H   -5.285600      -3.152600     -0.2864000    
 H   0.9518000       4.678300      -1.996400    
 H  -0.2084000       3.710300      -2.835000    
 H    5.831900      0.5510000      -1.726000    


%chk=000160177-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160177

0 1
S 5.671946 0.234332 0.360592
O 0.814463 2.824306 -0.077569
O 5.928143 0.550891 -1.462206
O 5.582019 1.669129 1.103542
O 6.766528 -0.862254 0.835559
N -3.033490 0.899309 0.026120
N -1.326913 -0.714988 -0.060081
N -3.681935 -1.365321 -0.189928
N 0.282459 -2.485106 -0.103649
N -1.951759 -3.063806 -0.244983
N 0.014185 4.407358 -1.568700
C -4.458632 1.303242 0.007928
C -1.996091 1.932196 0.218260
C -5.086999 1.355016 1.420158
C -1.361895 2.394021 -1.121898
C -2.675984 -0.422271 -0.076240
C -6.551459 1.839900 1.374512
C -0.093914 3.218613 -0.870455
C -1.032468 -2.039243 -0.132786
C -3.259036 -2.661093 -0.277684
C 1.503590 -1.788366 0.006050
C 3.999683 -0.561212 0.210648
C 2.694273 -2.575253 0.012601
C 1.594675 -0.372007 0.111566
C 3.954409 -1.964062 0.110991
C 2.853654 0.250267 0.210485
C -4.305510 -3.735756 -0.410956
H -5.012588 0.579032 -0.611968
H -4.523088 2.298556 -0.474061
H -2.459630 2.788037 0.740839
H -1.191689 1.533350 0.856805
H -5.035328 0.341742 1.859886
H -4.488033 2.022907 2.070873
H -2.096484 2.940131 -1.742111
H -1.053029 1.487843 -1.675515
H -7.171793 1.172006 0.748073
H -6.994384 1.858247 2.386164
H -6.626192 2.861810 0.956307
H 0.331071 -3.506169 -0.172059
H 2.630183 -3.667319 -0.062226
H 0.692825 0.237047 0.112210
H 4.876270 -2.553130 0.126474
H 2.908649 1.340117 0.292763
H -4.115546 -4.342549 -1.313758
H -4.256570 -4.423088 0.452666
H -5.307743 -3.286561 -0.466650
H 0.861610 4.964481 -1.453043
H -0.706643 4.726389 -2.213110
H 6.803086 1.029783 -1.553435


