%chk=000135066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135066

0 1
 S   -5.861100      0.1521000      0.9599000    
 O   -2.885700      0.8772000      -1.390000    
 O   -5.257000      -2.390700      0.9066000    
 N   -3.905900     -0.9165000     -0.3106000    
 N    1.102700      -2.109900      0.5613000    
 N    3.344700     -0.3435000      0.4504000    
 N    4.534200       1.385800       1.576100    
 N    4.910500     -0.7415000      -2.756300    
 C   -4.779100       1.300900      5.7700001E-02
 C   -4.099100       2.313300      0.9980000    
 C   -5.573400       2.129600     -0.9629000    
 C   -4.580800       3.688100      0.5388000    
 C   -4.907700       3.500100     -0.9317000    
 C   -3.746100      0.4249000     -0.6384000    
 C   -2.995600      -1.910700     -0.8537000    
 C   -4.950500      -1.274500      0.5137000    
 C   -1.791600      -2.152800      5.0700001E-02
 C  -0.8171000      -3.183600     -0.5285000    
 C   0.3905000      -3.375500      0.3884000    
 C    1.597000      -1.616500     -0.7298000    
 C    2.223500      -2.273400       1.495600    
 C    2.296000     -0.2639000     -0.5710000    
 C    2.942100     -0.9426000       1.729100    
 C    4.374000      0.6045000      0.4636000    
 C    5.215700      0.7376000     -0.6510000    
 C    6.234000       1.683900     -0.6229000    
 C    5.534900       2.294900       1.566800    
 C    6.403300       2.481600      0.5034000    
 C    5.047300     -7.9000004E-02  -1.813300    
 H   -4.332500       2.166900       2.058600    
 H   -3.006600       2.267500      0.9078000    
 H   -5.557500       1.708100      -1.973900    
 H   -6.623600       2.247200     -0.6663000    
 H   -3.829200       4.465800      0.7027000    
 H   -5.485300       3.969200       1.091500    
 H   -3.989600       3.495500      -1.530400    
 H   -5.562700       4.287300      -1.315700    
 H   -3.544600      -2.850000     -0.9892000    
 H   -2.655100      -1.580800      -1.842100    
 H   -2.137000      -2.487900       1.037100    
 H   -1.287800      -1.192300      0.2112000    
 H  -0.5412000      -2.940800      -1.558900    
 H   -1.339900      -4.147100     -0.5962000    
 H   3.7799999E-02  -3.740100       1.361500    
 H    1.045300      -4.151000     -2.9300001E-02
 H   0.7869000      -1.436600      -1.441600    
 H    2.287800      -2.337300      -1.187100    
 H    2.939300      -3.015200       1.116100    
 H    1.856900      -2.638400       2.462700    
 H    2.637400      7.6800004E-02  -1.549800    
 H    1.559800      0.4844000     -0.2453000    
 H    2.286600     -0.2486000       2.270900    
 H    3.820400      -1.133200       2.358600    
 H    6.903600       1.812700      -1.469700    
 H    5.624600       2.891400       2.468600    
 H    7.190200       3.225800      0.5477000    


%chk=000135066-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135066

0 1
S -5.940094 0.319754 1.061810
O -3.133661 0.803471 -1.744363
O -5.075838 -2.298640 1.189383
N -3.985882 -0.875742 -0.345412
N 1.231938 -1.888198 0.508535
N 3.502576 -0.099498 0.523692
N 5.335281 0.698687 1.736660
N 4.985520 -0.261907 -3.107685
C -4.963528 1.378987 -0.210721
C -4.303604 2.594838 0.495647
C -5.915143 2.043595 -1.248710
C -5.478742 3.586086 0.666615
C -6.339068 3.413794 -0.625361
C -3.940117 0.434641 -0.850134
C -3.040261 -1.915998 -0.819443
C -4.933231 -1.179611 0.658598
C -1.779474 -2.002622 0.065238
C -0.790692 -3.063207 -0.462344
C 0.485858 -3.167115 0.402334
C 1.888423 -1.483455 -0.758568
C 2.211016 -1.893906 1.624189
C 2.540257 -0.097074 -0.599633
C 2.861678 -0.508146 1.796409
C 4.790750 0.406396 0.502504
C 5.583523 0.612774 -0.699143
C 6.854040 1.240722 -0.568283
C 6.563673 1.258011 1.821346
C 7.355325 1.593785 0.696701
C 5.222102 0.141957 -2.003259
H -3.807250 2.322114 1.441704
H -3.541853 3.002520 -0.197282
H -5.332793 2.197933 -2.176000
H -6.771167 1.392885 -1.490739
H -5.129363 4.623336 0.809162
H -6.069468 3.310856 1.560600
H -6.142664 4.230984 -1.341643
H -7.417257 3.436780 -0.391406
H -3.582293 -2.878076 -0.822419
H -2.768510 -1.643659 -1.854944
H -2.075187 -2.256870 1.101409
H -1.272395 -1.021626 0.099877
H -0.524744 -2.839527 -1.515049
H -1.273362 -4.061462 -0.471744
H 0.193135 -3.462546 1.428927
H 1.134516 -3.987673 0.001021
H 1.131946 -1.422809 -1.560294
H 2.667566 -2.221099 -1.078184
H 3.019023 -2.653350 1.464986
H 1.680061 -2.155443 2.558414
H 3.020989 0.199476 -1.539766
H 1.744565 0.641621 -0.368527
H 2.081951 0.232265 2.068389
H 3.626457 -0.515320 2.585883
H 7.444770 1.412983 -1.473850
H 6.925530 1.447577 2.839030
H 8.328873 2.074948 0.815339


