%chk=000145971.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145971

0 1
 S    3.003400     -0.1679000      0.3981000    
 O    3.282100      0.7929000       1.457900    
 O    3.543600      -1.517200      0.4989000    
 O   -3.685100       1.448600      0.5229000    
 N    3.495100      0.5064000      -1.093500    
 N   -2.872200     -0.6149000     -0.2764000    
 C    1.273900     -0.2998000      0.1996000    
 C   0.4459000      0.7575000      0.5770000    
 C   0.7198000      -1.462400     -0.3365000    
 C   -1.489800     -0.5101000     -0.1176000    
 C  -0.9359000      0.6524000      0.4185000    
 C  -0.6621000      -1.567500     -0.4951000    
 C    2.974500       1.815700      -1.512100    
 C   -3.853800      0.3328000      4.1900001E-02
 C   -5.239300     -0.1664000     -0.2835000    
 H   0.8569000       1.673100      0.9931000    
 H    1.345500      -2.295400     -0.6442000    
 H   -1.511300       1.512000      0.7325000    
 H   -1.080100      -2.478500     -0.9158000    
 H    3.767600     -0.1311000      -1.851800    
 H   -3.198100      -1.493700     -0.6737000    
 H    2.028900       1.690300      -2.045400    
 H    3.694800       2.279400      -2.192100    
 H    2.838100       2.484700     -0.6591000    
 H   -5.320800     -0.3557000      -1.357500    
 H   -5.980700      0.5846000      2.6000000E-03
 H   -5.440000      -1.089900      0.2670000    


%chk=000145971-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145971

0 1
S 3.062177 -0.171320 0.325345
O 3.363233 0.948469 1.462383
O 3.631521 -1.693162 0.352804
O -3.818516 1.440773 0.444192
N 3.745647 0.540259 -1.223563
N -2.996731 -0.653050 -0.233457
C 1.179575 -0.292154 0.157910
C 0.389911 0.805586 0.537938
C 0.633460 -1.495938 -0.321266
C -1.595779 -0.483995 -0.084514
C -1.011803 0.716030 0.411854
C -0.764933 -1.585718 -0.440028
C 3.384925 1.940756 -1.509358
C -4.025470 0.268237 0.023357
C -5.422270 -0.280952 -0.259520
H 0.857229 1.704419 0.953380
H 1.284907 -2.342652 -0.560837
H -1.657940 1.547897 0.695831
H -1.215741 -2.517813 -0.803077
H 3.626577 -0.150466 -1.980336
H -3.294584 -1.571117 -0.573310
H 2.346409 2.093708 -1.873860
H 4.091969 2.319636 -2.268455
H 3.539266 2.528870 -0.588915
H -5.541720 -0.539596 -1.328129
H -6.160830 0.490408 0.000180
H -5.629588 -1.187214 0.339151


