%chk=000178432.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178432

0 1
 S   -1.477500      -2.383700     -0.2977000    
 O   -1.888100       1.972700      0.4049000    
 O    1.703300       1.088800       1.889100    
 O    4.800600      -3.814100       1.126700    
 O    3.058500      -3.286200       2.353600    
 N   -2.858000     -4.4799998E-02  5.5599999E-02
 N   0.5719000       1.101800     -0.1344000    
 N   -4.115200      -1.894500     -0.1905000    
 N    3.653800      -3.319800       1.249500    
 C  -0.3835000      6.7800000E-02  0.2027000    
 C  -0.2836000      -1.098100     -0.7888000    
 C   -1.727500      0.7769000      0.2008000    
 C    1.105100      -1.702000     -0.9102000    
 C   -2.897400      -1.411500     -0.1397000    
 C   -4.191900      0.3628000      9.1399997E-02
 C   -4.934500     -0.8090000     -5.6400001E-02
 C    1.734800      -2.228100      0.2158000    
 C    1.745200      -1.726700      -2.147600    
 C   -4.816500       1.610900      0.2408000    
 C    1.545700       1.527100      0.7527000    
 C   -6.339900     -0.7551000     -5.4699998E-02
 C    3.010200      -2.781500      0.1040000    
 C    3.020600      -2.280200      -2.259400    
 C   -6.215600       1.647700      0.2388000    
 C    3.653000      -2.807600      -1.133600    
 C   -6.967300      0.4844000      9.4400004E-02
 C    2.432400       2.614800      0.2649000    
 C    3.013400       3.463200       1.184200    
 C    2.645900       2.741600      -1.091900    
 C    3.845700       4.484700      0.7261000    
 C    3.478200       3.763000      -1.550100    
 C    4.078000       4.634500     -0.6410000    
 H  -0.2028000     -0.2674000       1.231900    
 H  -0.5984000     -0.7457000      -1.780700    
 H   0.4410000       1.569600      -1.025200    
 H    1.224700      -2.197800       1.175400    
 H    1.266000      -1.318500      -3.033200    
 H   -4.254500       2.530600      0.3550000    
 H   -6.931200      -1.658300     -0.1685000    
 H    3.521100      -2.299800      -3.223100    
 H   -6.723100       2.602400      0.3529000    
 H    4.646500      -3.230700      -1.258500    
 H   -8.052500      0.5398000      9.6500002E-02
 H    2.838700       3.363400       2.251300    
 H    2.228800       2.063300      -1.828800    
 H    4.312100       5.164000       1.433800    
 H    3.666300       3.874900      -2.614000    
 H    4.727400       5.428700     -0.9976000    


%chk=000178432-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178432

0 1
S -1.468641 -2.457657 -0.030492
O -2.021755 2.060783 -0.353100
O 1.928192 0.576200 1.404952
O 4.919046 -3.573404 1.340178
O 3.012961 -3.202322 2.534917
N -2.974507 -0.038728 -0.056215
N 0.510891 1.214566 -0.322797
N -4.190248 -1.992155 0.135531
N 3.693248 -3.178939 1.440404
C -0.473210 0.194846 0.033913
C -0.324706 -1.115103 -0.806404
C -1.872977 0.825323 -0.143818
C 1.078402 -1.687686 -0.853123
C -2.974907 -1.479208 0.028299
C -4.353506 0.348040 -0.009098
C -5.078026 -0.876387 0.134250
C 1.721191 -2.159113 0.316088
C 1.763252 -1.750442 -2.092425
C -4.987757 1.600869 -0.063310
C 1.664533 1.372877 0.449335
C -6.482030 -0.866576 0.235156
C 3.026159 -2.674045 0.210786
C 3.079374 -2.261358 -2.171548
C -6.399980 1.595178 0.040606
C 3.727890 -2.730314 -1.012881
C -7.133741 0.387123 0.186776
C 2.557061 2.525600 0.091125
C 3.513339 2.937304 1.054987
C 2.493819 3.195381 -1.159598
C 4.378373 4.016392 0.782616
C 3.363493 4.273276 -1.431695
C 4.303062 4.690046 -0.459893
H -0.320594 -0.069910 1.103030
H -0.692236 -0.944781 -1.833651
H 0.143518 2.020500 -0.840068
H 1.238160 -2.131366 1.295783
H 1.265335 -1.394238 -3.001745
H -4.419301 2.524878 -0.179873
H -7.035178 -1.803165 0.346521
H 3.594300 -2.296811 -3.136534
H -6.938139 2.548345 0.005706
H 4.743373 -3.133729 -1.034780
H -8.225377 0.429728 0.262554
H 3.559507 2.393576 2.004148
H 1.797414 2.863021 -1.938321
H 5.110140 4.331862 1.533896
H 3.314485 4.782198 -2.400368
H 4.976196 5.527824 -0.672620


