%chk=000170528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170528

0 1
 S    5.529200      -1.997800     -5.5300001E-02
 O   -2.337000      -1.169100      0.1111000    
 O    1.968800       1.558900     -0.6033000    
 N   -2.733500       1.067300     -0.2587000    
 N    2.769900      -1.778700      2.0000000E-02
 N    3.856400      0.1588000     -0.4058000    
 C   -3.951100      0.4234000     -9.6199997E-02
 C   -1.749500      9.6400000E-02 -0.1331000    
 C    1.812100     -0.7984000     -0.1320000    
 C   -2.626100       2.482400     -0.5108000    
 C   -3.701200     -0.9381000      0.1288000    
 C    2.509800      0.4835000     -0.4131000    
 C  -0.4186000      0.2081000     -0.2099000    
 C    4.056400      -1.208600     -0.1462000    
 C   0.4811000     -0.9095000     -5.5199999E-02
 C   -5.248900      0.8897000     -0.1223000    
 C    4.900600       1.146000     -0.6448000    
 C   -4.696300      -1.867300      0.3314000    
 C   -2.563200       3.268300      0.7879000    
 C    2.445100      -3.169300      0.3045000    
 C   -6.282900     -3.2900002E-02  8.0799997E-02
 C   -6.009200      -1.396600      0.3052000    
 C    5.365800       1.776800      0.6314000    
 C    6.622300       1.706900       1.085700    
 H   -1.723100       2.693900      -1.095900    
 H   -3.460100       2.843100      -1.124700    
 H  -6.4900003E-02   1.209300     -0.3866000    
 H   4.2800002E-02  -1.882600      0.1477000    
 H   -5.482200       1.934900     -0.2902000    
 H    4.489700       1.934500      -1.286100    
 H    5.728700      0.6828000      -1.190700    
 H   -4.476800      -2.913800      0.5032000    
 H   -3.467800       3.120500       1.386600    
 H   -1.706000       2.958500       1.395000    
 H   -2.464100       4.338200      0.5802000    
 H    1.827300      -3.565100     -0.5075000    
 H    1.895600      -3.221800       1.249300    
 H    3.342500      -3.784500      0.3899000    
 H   -7.315300      0.3077000      6.6200003E-02
 H   -6.833200      -2.088300      0.4598000    
 H    4.633100       2.330100       1.213400    
 H    6.896700       2.189500       2.017300    
 H    7.394200       1.173600      0.5421000    


%chk=000170528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170528

0 1
S 5.568895 -2.070433 -0.141740
O -2.459635 -1.207202 0.123335
O 2.144372 1.739890 -0.611651
N -2.864335 1.004259 -0.295658
N 2.803850 -1.719548 -0.060165
N 3.936282 0.172790 -0.429533
C -4.117118 0.392440 -0.079230
C -1.847953 0.047842 -0.155401
C 1.826770 -0.698664 -0.192433
C -2.626995 2.434672 -0.555628
C -3.862839 -0.979965 0.169789
C 2.567616 0.554400 -0.432606
C -0.479602 0.209747 -0.253916
C 4.095545 -1.208764 -0.204952
C 0.451469 -0.865538 -0.107099
C -5.434371 0.885168 -0.084227
C 5.041824 1.133220 -0.606915
C -4.867234 -1.913958 0.415552
C -2.315968 3.234726 0.727215
C 2.501144 -3.127372 0.184418
C -6.473181 -0.050498 0.163367
C -6.200812 -1.418807 0.407582
C 5.394166 1.850947 0.684821
C 6.607212 1.773762 1.282974
H -1.791733 2.518607 -1.273933
H -3.526023 2.834688 -1.057266
H -0.078213 1.209086 -0.449013
H 0.051315 -1.869301 0.083567
H -5.658967 1.940103 -0.266564
H 4.707810 1.863567 -1.367672
H 5.908604 0.568527 -0.990440
H -4.638917 -2.965959 0.603496
H -3.152899 3.178812 1.445074
H -1.406749 2.850389 1.220009
H -2.144699 4.296107 0.474370
H 1.890939 -3.545211 -0.637416
H 1.956823 -3.249303 1.138875
H 3.458038 -3.671783 0.238787
H -7.511087 0.298211 0.167520
H -7.028005 -2.110118 0.595962
H 4.594893 2.468141 1.118544
H 6.826945 2.322715 2.205863
H 7.409922 1.150307 0.871436


