%chk=000108670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108670

0 1
 S   -6.842300       1.935300      0.1710000    
 S   -3.619100      0.7525000      0.4693000    
 O   -5.478300       2.716500      0.6057000    
 O   -7.362100       2.595500      -1.011800    
 O   -7.662900       1.749100       1.351900    
 O    5.070500      -2.613100      0.4053000    
 O    4.770300       2.084200      0.3296000    
 N   -3.221300      -1.657000     -0.3604000    
 N    2.824700     -0.3457000       1.541800    
 N    3.516900     -0.3170000      0.5028000    
 N    6.775200      -1.282400     -0.3735000    
 N    6.725800       1.080800     -0.2808000    
 N    8.596800     -1.5699999E-02  -1.167500    
 N    9.549500       2.261500      -1.546900    
 C   -6.302300      0.3304000     -0.3159000    
 C   -4.973700     -0.1002000     -0.1718000    
 C   -4.564700      -1.377900     -0.5659000    
 C   -7.229200     -0.5557000     -0.8706000    
 C   -2.631400     -0.6136000      0.1760000    
 C   -5.521500      -2.253600      -1.123500    
 C   -6.846100      -1.831400      -1.269800    
 C   -1.233700     -0.5450000      0.5263000    
 C   -8.661400     -0.1642000      -1.054700    
 C  -0.5001000      -1.718400      0.7003000    
 C  -0.6159000      0.6948000      0.6903000    
 C    1.463300     -0.4126000       1.200900    
 C   0.8516000      -1.652000       1.038600    
 C   0.7358000      0.7611000       1.028300    
 C    4.946300     -0.2457000      0.8092000    
 C    5.570800      -1.499600      0.2615000    
 C    5.455800       1.065000      0.2502000    
 C    7.311400     -3.1900000E-02 -0.5780000    
 C    9.101400       1.206100      -1.367900    
 H   -5.232700      -3.252200      -1.439000    
 H   -7.565900      -2.521600      -1.702900    
 H   -9.112400      0.1719000     -0.1170000    
 H   -8.760600      0.6103000      -1.820700    
 H   -9.266300      -1.014700      -1.391300    
 H  -0.9601000      -2.696400      0.5811000    
 H   -1.121500       1.644400      0.5436000    
 H    1.415700      -2.571000       1.173700    
 H    1.211600       1.730700       1.149200    
 H    5.150200     -0.2314000       1.889200    
 H   -4.848800       2.911800     -0.1279000    
 H    7.291600      -2.090100     -0.7088000    
 H    9.058000     -0.8870000      -1.404100    


%chk=000108670-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108670

0 1
S -7.011824 2.008657 -1.270327
S -3.593166 0.783248 -0.623133
O -5.325016 2.776434 -1.304915
O -7.493535 1.788510 -2.800917
O -7.957294 2.872335 -0.287529
O 5.358505 -0.747587 -2.357241
O 4.963636 0.775973 2.129327
N -3.577331 -1.665356 0.514296
N 2.943477 -1.269618 0.364432
N 3.687762 -0.316747 -0.107700
N 7.212534 -0.077322 -1.132526
N 7.096200 0.559443 1.196728
N 9.147941 0.575663 0.050278
N 10.483111 1.520112 2.013974
C -6.504022 0.365632 -0.453873
C -5.166406 -0.026685 -0.256294
C -4.920576 -1.316918 0.346470
C -7.608255 -0.452360 -0.095338
C -2.752496 -0.726742 0.077795
C -6.000738 -2.145761 0.722547
C -7.315496 -1.713312 0.500772
C -1.290630 -0.813406 0.125222
C -9.055270 -0.048465 -0.313290
C -0.688871 -1.988475 0.660236
C -0.457210 0.244898 -0.344608
C 1.529536 -1.041209 0.247888
C 0.709361 -2.097942 0.720959
C 0.938725 0.138144 -0.285659
C 5.126770 -0.606478 0.101524
C 5.857546 -0.485842 -1.241911
C 5.699040 0.330268 1.225847
C 7.761793 0.350811 0.086697
C 9.834585 1.078037 1.112308
H -5.783876 -3.116044 1.177015
H -8.154948 -2.355428 0.785172
H -9.343592 0.783804 0.353292
H -9.238114 0.290023 -1.349922
H -9.720606 -0.903121 -0.113172
H -1.337486 -2.791751 1.020216
H -0.908193 1.156667 -0.753495
H 1.194531 -2.988992 1.131272
H 1.588777 0.943908 -0.638047
H 5.271391 -1.648990 0.472148
H -5.352105 3.510575 -1.983054
H 7.726803 -0.015455 -2.017826
H 9.683932 0.311664 -0.780537


