%chk=000130606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130606

0 1
 S   0.9449000      -2.191500       1.197600    
 O   -3.603600      -1.200400      -1.681800    
 O    1.839000      -2.553700       2.281500    
 O   0.3781000      -3.226700      0.3548000    
 N  -0.3042000      -1.185500       1.819900    
 N  -0.2289000       1.599900       1.684500    
 C   -1.120600     -0.4536000      0.8976000    
 C   -1.058100      0.9366000      0.8565000    
 C    1.832100      -1.070700      0.1539000    
 C   -1.881800       1.610800     -6.9100000E-02
 C   -1.969100      -1.173900      5.3199999E-02
 C   -2.777500     -0.5035000     -0.8562000    
 C   -2.735300      0.8864000     -0.9185000    
 C    2.878400     -0.3393000      0.6861000    
 C    1.461200     -0.9495000      -1.172800    
 C    3.218600      0.6801000      -1.477500    
 C   -1.819300       3.010100     -0.1109000    
 C    3.577600      0.5437000     -0.1367000    
 C    2.160500     -6.6500001E-02  -1.995700    
 C  -0.9661000       3.696400      0.7410000    
 C  -0.1987000       2.950400       1.612400    
 C    3.967100       1.623000      -2.357700    
 C   -3.594100      -2.622600      -1.562000    
 H  -7.1999997E-02 -0.6706000       2.679600    
 H   -1.984000      -2.252300      0.1623000    
 H   -3.370000       1.407400      -1.632800    
 H    3.167000     -0.4243000       1.729100    
 H   0.6426000      -1.522300      -1.596800    
 H   -2.435500       3.573100     -0.8082000    
 H    4.397700       1.122900      0.2796000    
 H    1.870200      3.2099999E-02  -3.038300    
 H  -0.9050000       4.778100      0.7217000    
 H   0.4874000       3.432000       2.301400    
 H    3.500600       2.612700      -2.329900    
 H    5.010700       1.717600      -2.038800    
 H    3.979900       1.269900      -3.394500    
 H   -4.304200      -3.013300      -2.298300    
 H   -3.946000      -2.945300     -0.5762000    
 H   -2.613100      -3.041300      -1.811000    


%chk=000130606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130606

0 1
S 1.017848 -2.100832 1.147940
O -3.849406 -1.179490 -1.610112
O 1.894776 -2.526605 2.442799
O 0.238455 -3.175651 0.208874
N -0.352553 -0.963205 1.874959
N -0.511424 1.777817 1.811308
C -1.252809 -0.366953 0.969960
C -1.355453 1.076508 0.969055
C 2.113505 -1.058537 0.010833
C -2.335793 1.711022 0.116211
C -2.078330 -1.134499 0.130190
C -3.010333 -0.483255 -0.733891
C -3.149291 0.916068 -0.739729
C 3.234482 -0.424341 0.570896
C 1.768807 -0.968895 -1.347421
C 3.739119 0.481800 -1.669095
C -2.419017 3.143635 0.188789
C 4.048035 0.345141 -0.288712
C 2.597782 -0.188938 -2.183503
C -1.567208 3.843873 1.045142
C -0.619010 3.120191 1.838808
C 4.605161 1.338921 -2.573628
C -3.764842 -2.646786 -1.625726
H 0.137390 -0.236189 2.439311
H -1.986772 -2.222228 0.164284
H -3.890719 1.375792 -1.400539
H 3.475678 -0.553437 1.631003
H 0.902711 -1.512542 -1.737186
H -3.154363 3.671448 -0.429124
H 4.936400 0.842465 0.117142
H 2.356946 -0.106330 -3.249480
H -1.611059 4.934740 1.120960
H 0.064236 3.652948 2.509840
H 4.244987 2.385941 -2.584251
H 5.654878 1.356929 -2.233089
H 4.587947 0.975921 -3.615764
H -4.483633 -2.962221 -2.395636
H -4.052378 -3.074311 -0.646719
H -2.748251 -2.989517 -1.895699


