%chk=000173726.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173726

0 1
 S   -4.628400      0.3629000     -0.1972000    
 O    2.540900      -1.438400     -0.4743000    
 O   -5.915800      0.5845000      0.4348000    
 O   -4.041400       1.377900      -1.049300    
 N    4.913000      7.4999998E-03  0.1245000    
 N   -3.511200     -0.1501000       1.008800    
 C    4.205300      0.7333000     -0.9296000    
 C    2.741700      0.9627000     -0.5525000    
 C    1.991800     -0.3459000     -0.3509000    
 C   0.5434000     -0.2946000      7.1000000E-03
 C   -2.125700     -0.1994000      0.6676000    
 C  -5.8699999E-02  0.9354000      0.1413000    
 C  -0.1329000      -1.479100      0.1891000    
 C   -1.412000      0.9837000      0.4762000    
 C   -1.486200      -1.430800      0.5239000    
 C    4.841700      0.7421000       1.387100    
 C    6.306400     -0.2186000     -0.2574000    
 C   -4.771900      -1.132900      -1.149300    
 H    4.243700      0.1539000      -1.861100    
 H    4.679600       1.702300      -1.133100    
 H    2.646900       1.602700      0.3289000    
 H    2.272100       1.484700      -1.395900    
 H   0.4544000       1.879500      1.6000000E-03
 H   0.3455000      -2.447500      8.1900001E-02
 H   -1.893600       1.950700      0.5962000    
 H   -2.033100      -2.359000      0.6690000    
 H    5.494900      0.2759000       2.135200    
 H    3.841200      0.7049000       1.828600    
 H    5.153200       1.787900       1.282900    
 H    6.824000     -0.8114000      0.5051000    
 H    6.855400      0.7199000     -0.3967000    
 H    6.362200     -0.7927000      -1.189100    
 H   -3.826200     -0.9402000       1.587700    
 H   -3.809800      -1.361800      -1.610200    
 H   -5.098200      -1.942400     -0.4937000    
 H   -5.520100     -0.9645000      -1.927300    


%chk=000173726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173726

0 1
S -4.324540 0.222609 0.894550
O 2.987219 -1.964179 -0.434564
O -4.945884 -0.528198 2.202947
O -3.359659 1.524375 1.034809
N 4.736493 0.658340 0.621794
N -3.420057 -1.132963 -0.312023
C 4.532519 0.362741 -0.815962
C 3.035622 0.359553 -1.181019
C 2.328603 -0.915201 -0.698773
C 0.830142 -0.921571 -0.581964
C -2.005819 -1.051719 -0.346039
C 0.013760 0.151625 -1.035969
C 0.203633 -2.060177 -0.000770
C -1.385835 0.087374 -0.934908
C -1.189030 -2.116705 0.143424
C 4.710878 2.098786 0.931777
C 5.905694 -0.027295 1.203643
C -5.760994 0.672591 -0.265555
H 4.935546 -0.644360 -1.020962
H 5.077923 1.085227 -1.473273
H 2.537240 1.253707 -0.764982
H 2.911907 0.415658 -2.284854
H 0.468475 1.038063 -1.488738
H 0.844413 -2.877791 0.344649
H -2.009917 0.906046 -1.303316
H -1.661231 -2.984520 0.620832
H 4.743241 2.245256 2.026314
H 3.775427 2.556668 0.562595
H 5.567957 2.663771 0.480742
H 5.927799 0.144262 2.295455
H 6.886200 0.317469 0.785368
H 5.815120 -1.113400 1.030245
H -3.743306 -2.019641 0.127752
H -5.302083 1.037079 -1.193087
H -6.339031 -0.247931 -0.420161
H -6.336325 1.447553 0.259923


