%chk=000130288.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130288

0 1
 S   -1.275800      -3.273900       1.799700    
 O  -0.7347000     -0.6975000      -3.457000    
 O   -3.967700       2.370400       1.471400    
 O   -3.244600       1.270000     -0.4729000    
 O    4.563900      0.4057000      -1.320400    
 N   0.1996000      -1.478600      -1.418200    
 N   -2.047300      -1.729200      -1.768200    
 N    3.734300       1.671600      0.4378000    
 C  -0.4117000      -1.829800     -0.1740000    
 C   -1.673700      -2.528600     -0.6447000    
 C   0.2190000      -2.789600      0.8077000    
 C   -2.528100      -2.662300      0.5864000    
 C    1.282800      -2.147500       1.683700    
 C    2.445900      -1.610000      0.8496000    
 C  -0.8458000      -1.229800      -2.362000    
 C    3.526900     -0.9898000       1.740100    
 C    4.715900     -0.4688000      0.9345000    
 C    4.336900      0.5547000     -0.1226000    
 C  -0.5734000       2.482200     -0.2262000    
 C   0.8617000       2.564200      0.3000000    
 C   -1.624200       2.423400      0.8846000    
 C    1.868600       2.651300     -0.8520000    
 C   -3.050700       2.413400      0.3697000    
 C    3.306400       2.794400     -0.3621000    
 C   -4.569700       1.078600       1.391500    
 C   -4.514500      0.7556000     -7.6499999E-02
 H  -0.6445000     -0.8693000      0.3140000    
 H   -1.455600      -3.525400      -1.060400    
 H   0.6144000      -3.682300      0.3097000    
 H   -3.343700      -3.378900      0.4625000    
 H   -2.931800      -1.707600      0.9322000    
 H    1.661100      -2.886200       2.401600    
 H   0.8557000      -1.323800       2.270800    
 H    1.154800      -1.170400      -1.564500    
 H   -2.943800      -1.757100      -2.243600    
 H    2.085700     -0.8240000      0.1844000    
 H    2.875700      -2.410100      0.2360000    
 H    3.891400      -1.743400       2.448800    
 H    3.087900     -0.1849000       2.341100    
 H    5.449900     -1.1700000E-02   1.608300    
 H    5.216400      -1.304100      0.4304000    
 H  -0.6681000       1.598900     -0.8688000    
 H  -0.7738000       3.356200     -0.8585000    
 H    1.067300       1.681800      0.9173000    
 H   0.9649000       3.444300      0.9459000    
 H   -1.493600       3.271000       1.568600    
 H   -1.448500       1.521400       1.485600    
 H    1.780000       1.754700      -1.478100    
 H    1.626100       3.512600      -1.485800    
 H   -3.260800       3.317700     -0.2122000    
 H    3.978700       2.900800      -1.220500    
 H    3.410800       3.691700      0.2572000    
 H    3.610400       1.731600       1.443700    
 H   -5.585300       1.099000       1.794100    
 H   -3.960100      0.3851000       1.980500    
 H   -4.589100     -0.3123000     -0.2931000    
 H   -5.288400       1.292600     -0.6360000    


%chk=000130288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130288

0 1
S -2.029080 -3.130361 0.896932
O 0.813234 -0.957787 -3.987756
O -3.690813 2.567767 1.994456
O -2.834721 0.802888 0.647616
O 3.268664 -0.330456 -0.761430
N 0.808976 -1.623633 -1.686795
N -1.138721 -1.757084 -2.858340
N 3.675526 1.768833 0.122974
C -0.273772 -1.847784 -0.710246
C -1.336148 -2.521083 -1.617392
C -0.143365 -2.737120 0.538430
C -2.636572 -2.479887 -0.815851
C 0.489577 -2.064856 1.769773
C 2.033466 -1.945457 1.622143
C 0.239011 -1.397176 -2.957145
C 2.639282 -0.688129 2.301850
C 3.945847 -0.194211 1.602642
C 3.625697 0.396253 0.225833
C -0.635720 2.548587 -0.396728
C 0.857650 2.891499 -0.193075
C -1.487242 2.846132 0.858052
C 1.737043 2.426093 -1.374030
C -2.905701 2.281064 0.770939
C 3.260934 2.493650 -1.101367
C -3.756720 1.299743 2.759468
C -3.776356 0.239440 1.648915
H -0.695323 -0.873671 -0.366216
H -1.049010 -3.589108 -1.760651
H 0.344039 -3.699095 0.300282
H -3.411397 -3.175870 -1.171350
H -3.023600 -1.454985 -0.704786
H 0.231939 -2.629284 2.686279
H 0.032068 -1.061222 1.879451
H 1.726852 -1.212418 -1.459058
H -1.641706 -1.955827 -3.723438
H 2.295960 -1.910420 0.551532
H 2.521191 -2.855672 2.022905
H 2.859260 -0.887905 3.368339
H 1.897454 0.136335 2.284669
H 4.459474 0.549842 2.241299
H 4.633768 -1.047635 1.462254
H -0.725795 1.473282 -0.643621
H -1.036785 3.104411 -1.268611
H 1.204132 2.390785 0.735229
H 0.979143 3.982773 -0.026679
H -1.563741 3.938484 1.023738
H -1.003955 2.409727 1.754443
H 1.478276 1.385775 -1.642018
H 1.527820 3.038359 -2.273493
H -3.485182 2.700850 -0.075007
H 3.795852 2.053798 -1.962789
H 3.592191 3.542391 -0.986750
H 3.958978 2.309807 0.940709
H -4.674081 1.335808 3.367436
H -2.868425 1.188768 3.412480
H -3.377551 -0.747278 1.937025
H -4.787722 0.140270 1.207630


