%chk=000146839.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146839

0 1
 S   -6.241800       1.348300     -0.7537000    
 O    3.967900      0.2312000     -0.6004000    
 O   -5.389800       2.441800      -1.195300    
 O   -7.177300      0.7350000      -1.684200    
 O    5.939400      -1.699600     -0.9346000    
 N   0.6180000      8.5400000E-02  0.9150000    
 N   -7.095100       1.839600      0.6417000    
 C   -1.782600     -0.1742000       1.464300    
 C   -3.128300     -0.5439000      0.9378000    
 C  -0.6972000     -0.2532000      0.3815000    
 C   -5.220400      9.1700003E-02 -9.0000004E-02
 C   -3.962100      0.4379000      0.4025000    
 C   -5.645100      -1.236200     -4.6999998E-02
 C   -3.552900      -1.871900      0.9808000    
 C    1.633500      1.6000001E-02 -0.1259000    
 C   -4.811300      -2.218000      0.4885000    
 C    3.008300      0.3271000      0.4439000    
 C   -6.986300      -1.640600     -0.5658000    
 C    5.270200      0.5007000     -0.2695000    
 C    6.251600     -0.4701000     -0.4387000    
 C    5.595200       1.755100      0.2360000    
 C    7.573500     -0.1834000     -9.8099999E-02
 C    6.917200       2.041800      0.5763000    
 C    7.906400       1.072600      0.4094000    
 C    7.008900      -2.632900      -1.074400    
 H   -1.523600     -0.8340000       2.303300    
 H   -1.815400      0.8385000       1.887700    
 H  -0.9546000      0.4348000     -0.4340000    
 H  -0.6792000      -1.266300     -4.0700000E-02
 H   -3.621800       1.470000      0.3804000    
 H   0.8546000     -0.5535000       1.673500    
 H   -2.911800      -2.646400       1.393200    
 H    1.411800      0.7279000     -0.9307000    
 H    1.655800     -0.9802000     -0.5859000    
 H   -5.124500      -3.257900      0.5282000    
 H    3.264900     -0.3890000       1.235100    
 H    3.000000       1.335200      0.8745000    
 H   -7.218200      -2.670300     -0.2650000    
 H   -7.007000      -1.637900      -1.659600    
 H   -7.792300      -1.035600     -0.1397000    
 H   -8.089900       1.591100      0.7048000    
 H   -6.870500       2.759900       1.039100    
 H    4.843100       2.529400      0.3550000    
 H    8.393400     -0.8858000     -0.2011000    
 H    7.177400       3.021100      0.9671000    
 H    8.935700       1.297500      0.6737000    
 H    7.451100      -2.888200     -0.1053000    
 H    7.756500      -2.285100      -1.795400    
 H    6.580700      -3.555100      -1.480900    


%chk=000146839-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146839

0 1
S -6.046386 1.215673 -1.379511
O 4.116607 -0.349431 -0.019763
O -5.046088 2.485777 -1.593329
O -6.659922 0.421738 -2.660744
O 6.034690 -1.411978 -1.501859
N 0.622810 -0.112440 1.213037
N -7.540547 1.743510 -0.423637
C -1.820162 0.051322 1.648051
C -3.206948 -0.353310 1.179296
C -0.709422 -0.536543 0.738806
C -5.197000 0.034008 -0.161935
C -3.940108 0.467426 0.287503
C -5.815019 -1.184659 0.202688
C -3.791595 -1.582795 1.574960
C 1.755670 -0.544212 0.365607
C -5.058143 -1.985324 1.099504
C 3.022889 0.207388 0.788722
C -7.176321 -1.628203 -0.290318
C 5.398843 0.178900 0.176087
C 6.438035 -0.395784 -0.625638
C 5.713161 1.209323 1.089040
C 7.762139 0.076524 -0.491910
C 7.045266 1.675025 1.215292
C 8.065940 1.110815 0.427961
C 7.068376 -2.015092 -2.344374
H -1.655498 -0.303131 2.685711
H -1.706799 1.150126 1.656240
H -0.845805 -0.157641 -0.292348
H -0.829317 -1.648035 0.689698
H -3.542889 1.427505 -0.062040
H 0.768319 -0.371683 2.199722
H -3.248100 -2.233883 2.270513
H 1.524298 -0.291373 -0.684997
H 1.957523 -1.640330 0.399244
H -5.484077 -2.940810 1.426371
H 3.235619 0.051893 1.869106
H 2.906785 1.292930 0.602120
H -7.452630 -2.596504 0.157696
H -7.189535 -1.723345 -1.390249
H -7.946023 -0.880032 -0.026168
H -8.292353 1.910456 -1.115036
H -7.307628 2.591382 0.121311
H 4.926797 1.657645 1.703204
H 8.563277 -0.354521 -1.099715
H 7.271993 2.475743 1.926978
H 9.097643 1.466260 0.519676
H 7.855990 -2.500729 -1.734909
H 7.530871 -1.265873 -3.016941
H 6.540875 -2.773407 -2.941326


