%chk=000146762.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146762

0 1
 S    2.555300      -1.652900      6.6000000E-03
 O    2.507700       2.280500     -0.5379000    
 O    3.607400      -2.381600      0.6907000    
 O    1.299400      -2.301100     -0.3153000    
 N    2.288400     -0.1724000      0.8432000    
 N   -4.565900     -0.9541000      0.1428000    
 C   -2.617100      0.3860000      0.8768000    
 C   -1.260500      0.8826000      0.5061000    
 C   -3.229200     -0.4962000     -0.2205000    
 C    1.139200      0.6022000      0.4929000    
 C  -0.1294000      0.1382000      0.8410000    
 C   -1.123200       2.091100     -0.1768000    
 C    1.276500       1.810800     -0.1901000    
 C   0.1453000       2.555100     -0.5249000    
 C    3.255500      -1.036700      -1.508100    
 C   -5.149300      -1.751300     -0.9264000    
 H   -2.561800     -0.1746000       1.819600    
 H   -3.276300       1.240200       1.082300    
 H   -2.576300      -1.361300     -0.3932000    
 H   -3.271100      7.2200000E-02  -1.158800    
 H  -0.2402000     -0.7977000       1.384000    
 H   -1.996800       2.679200     -0.4454000    
 H    3.132200      0.3927000       1.008800    
 H   0.2374000       3.498000      -1.057300    
 H   -5.163800     -0.1493000      0.3285000    
 H    3.543600      -1.896100      -2.117900    
 H    2.506800     -0.4466000      -2.038900    
 H    4.138200     -0.4384000      -1.275300    
 H   -5.257600      -1.171000      -1.848500    
 H   -6.144900      -2.091600     -0.6252000    
 H   -4.546300      -2.641900      -1.132000    
 H    2.404300       3.127300      -1.004900    


%chk=000146762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146762

0 1
S 2.528177 -1.715944 0.015316
O 2.730617 2.307954 -0.208712
O 3.974334 -2.288495 0.475303
O 1.168725 -2.591778 0.141708
N 2.250202 -0.098078 1.072423
N -4.466470 -0.987178 -0.043252
C -2.694432 0.575619 0.733351
C -1.277411 1.080295 0.513837
C -3.109509 -0.481824 -0.321461
C 1.160568 0.708726 0.655328
C -0.170917 0.283083 0.892111
C -1.026799 2.341842 -0.086002
C 1.379886 1.970469 0.021469
C 0.292045 2.793756 -0.325999
C 2.656256 -1.154521 -1.825263
C -4.906373 -2.090840 -0.916530
H -2.798494 0.106624 1.729108
H -3.407906 1.423169 0.696998
H -2.407431 -1.336918 -0.270438
H -3.000836 -0.041190 -1.346496
H -0.318261 -0.682516 1.386764
H -1.870791 2.983432 -0.364501
H 3.165678 0.387944 1.019762
H 0.463006 3.773784 -0.789978
H -5.155989 -0.224713 -0.002792
H 2.752141 -2.082490 -2.405909
H 1.726527 -0.614151 -2.049094
H 3.548516 -0.517447 -1.890511
H -4.893400 -1.851870 -2.008883
H -5.932644 -2.394374 -0.643455
H -4.248358 -2.965726 -0.761146
H 2.816843 3.224656 -0.567158


