%chk=000051550.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051550

0 1
 S   -3.588400     -0.8099000     -0.2863000    
 O   -4.114800      -1.363800      -1.519200    
 O   -4.336400     -0.9388000      0.9496000    
 O    3.111800       1.049600     -0.5298000    
 O    5.330000      -1.361900      0.9312000    
 O    4.950400     -0.8275000      -1.250200    
 N   -3.198200      0.8268000     -0.5242000    
 C   -2.149200       2.877300      0.3712000    
 C   -3.156900       1.751300      0.6315000    
 C  -0.7589000       2.393900      0.1331000    
 C   -1.997200      -1.525800     -2.7000001E-03
 C   0.1191000       2.238800       1.205800    
 C  -0.3361000       2.097400      -1.162700    
 C    1.420000       1.787400      0.9826000    
 C   0.9646000       1.646000      -1.385800    
 C    1.842700       1.491000     -0.3132000    
 C   -1.509900      -1.598400       1.290700    
 C   -1.267600      -1.999200      -1.079400    
 C  -0.2537000      -2.161900       1.514500    
 C  -1.1400000E-02  -2.562800     -0.8556000    
 C   0.4954000      -2.644000      0.4414000    
 C    3.727800      0.3036000      0.5189000    
 C    4.716800     -0.6690000     -6.1400000E-02
 H   -2.479700       3.470800     -0.4918000    
 H   -2.160300       3.570800       1.221900    
 H   -2.874600       1.212300       1.541700    
 H   -4.155700       2.176100      0.7758000    
 H   -3.393600       1.253800      -1.438100    
 H  -0.1978000       2.469200       2.219500    
 H   -1.007500       2.216100      -2.009000    
 H    2.079500       1.704600       1.841400    
 H    1.288200       1.415800      -2.397200    
 H   -2.073100      -1.222700       2.139100    
 H   -1.641800      -1.936500      -2.096500    
 H   0.1428000      -2.222000       2.523700    
 H   0.5739000      -2.934900      -1.691400    
 H    1.475100      -3.079500      0.6151000    
 H    4.261400      0.9932000       1.181100    
 H    2.994000     -0.2957000       1.072300    
 H    5.982200      -2.005000      0.5797000    


%chk=000051550-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051550

0 1
S -3.298512 -0.668118 0.604511
O -4.740355 -1.403184 0.388466
O -2.723190 -0.307382 2.088967
O 3.183608 0.638991 0.224527
O 5.847072 -0.380445 2.453051
O 5.475867 -0.934323 0.218953
N -3.328441 0.955793 -0.367426
C -2.041205 3.085734 -0.067772
C -3.170855 2.169703 0.478606
C -0.653351 2.472944 0.036299
C -2.000875 -1.688864 -0.306879
C -0.052953 2.242805 1.298082
C 0.077510 2.101799 -1.123047
C 1.224673 1.649469 1.416710
C 1.352272 1.510934 -1.030370
C 1.921915 1.273736 0.242413
C -0.646779 -1.384925 -0.100622
C -2.462743 -2.721750 -1.137546
C 0.308246 -2.169440 -0.787830
C -1.490289 -3.498758 -1.809631
C -0.113767 -3.219561 -1.637672
C 3.821252 0.409271 1.508151
C 5.106399 -0.367543 1.260125
H -2.264883 3.343392 -1.118803
H -2.087337 4.028900 0.514660
H -2.922116 1.846600 1.510209
H -4.122294 2.734592 0.533825
H -4.231702 0.905354 -0.873708
H -0.589294 2.518664 2.213993
H -0.364592 2.265542 -2.112081
H 1.649744 1.493228 2.412878
H 1.913517 1.216179 -1.922070
H -0.344827 -0.573628 0.568163
H -3.535677 -2.916159 -1.234902
H 1.374178 -1.950704 -0.663701
H -1.809488 -4.317620 -2.462699
H 0.632886 -3.823147 -2.165001
H 4.063472 1.359144 2.024834
H 3.179975 -0.194155 2.185351
H 6.675839 -0.916568 2.326286


