%chk=000015010.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015010

0 1
 S    2.847600       1.359500     -7.5199999E-02
 O   -2.731600     -0.5523000      -1.655000    
 O    3.817900       2.066000     -0.8908000    
 O    1.657600       2.033900      0.4042000    
 N    2.442800     -0.1157000     -0.8664000    
 N   -3.999700       1.278100      0.1735000    
 C   -2.438900     -0.6061000     -0.2524000    
 C   -1.050500      -1.117300     -6.3800000E-02
 C   -2.634400      0.7935000      0.3637000    
 C   3.4100000E-02 -0.3859000     -0.5479000    
 C    1.332400     -0.8641000     -0.3712000    
 C  -0.8369000      -2.326900      0.5971000    
 C    1.546200      -2.073800      0.2896000    
 C   0.4615000      -2.805200      0.7737000    
 C    3.723900      0.7279000       1.338200    
 C   -4.172000       2.588200      0.7827000    
 H   -3.161700      -1.300700      0.1939000    
 H   -1.955500       1.510600     -0.1130000    
 H   -2.388400      0.7566000       1.432700    
 H  -0.1264000      0.5444000      -1.087200    
 H   -1.670900      -2.908600      0.9803000    
 H    2.553500      -2.455500      0.4343000    
 H    3.245600     -0.6959000      -1.145200    
 H   0.6281000      -3.746900       1.288600    
 H   -4.655800      0.6205000      0.5937000    
 H   -3.630200     -0.1925000      -1.749100    
 H    4.104000       1.580600       1.905500    
 H    3.038200      0.1507000       1.960300    
 H    4.557900      0.1130000      0.9946000    
 H   -3.503700       3.328300      0.3305000    
 H   -3.994100       2.557100       1.862600    
 H   -5.198400       2.932300      0.6217000    


%chk=000015010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015010

0 1
S 2.883465 1.363603 -0.408183
O -2.626160 -0.097698 -1.569138
O 4.309393 1.771138 -1.066122
O 1.560197 2.289238 -0.546685
N 2.455648 -0.360961 -1.174804
N -3.844743 1.260296 0.385519
C -2.421441 -0.655430 -0.237794
C -1.024361 -1.241713 -0.120072
C -2.636570 0.503152 0.791738
C 0.066373 -0.567248 -0.711985
C 1.384928 -1.067824 -0.554151
C -0.797874 -2.443166 0.596893
C 1.609950 -2.263332 0.189343
C 0.512750 -2.957476 0.737771
C 3.150536 1.084644 1.482032
C -3.897264 2.675556 0.815291
H -3.171758 -1.455313 -0.037935
H -1.774518 1.192527 0.723533
H -2.673549 0.101206 1.828444
H -0.109780 0.321064 -1.324417
H -1.646711 -2.987553 1.028229
H 2.629741 -2.651589 0.309595
H 3.363791 -0.858393 -1.203631
H 0.678032 -3.894573 1.280602
H -4.711553 0.754621 0.613991
H -3.277995 0.657216 -1.399716
H 3.257882 2.092604 1.906076
H 2.255231 0.566847 1.852609
H 4.067193 0.487896 1.583268
H -3.038525 3.218337 0.383016
H -3.869412 2.813199 1.919796
H -4.820698 3.142926 0.431087


