%chk=000122494.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122494

0 1
 S   -5.225000     -0.8079000       1.042100    
 S    6.263800       1.637700     -0.4824000    
 S   -2.433600       5.271300      0.4783000    
 O   -5.628400      0.1463000     -0.2227000    
 O    6.990900       1.343400      -1.916900    
 O   -3.173900       4.974300       1.905400    
 O   -3.360200       6.009200     -0.3660000    
 O   -1.118400       5.813500      0.7871000    
 O    7.221700       2.312700      0.3793000    
 O    4.974000       2.244800     -0.7769000    
 O   -4.182100     -0.1350000       1.800700    
 O   -6.468200      -1.209300       1.684400    
 N   -1.159100      -3.445600     -0.7075000    
 N    3.336100      -2.535300      0.2520000    
 N   0.3075000      0.9927000     -0.3602000    
 N    1.845200     -0.7502000     -4.8799999E-02
 N  -0.4570000      -1.217000     -0.5390000    
 N    1.093200      -3.022000     -0.2275000    
 C  -0.8691000       1.725300     -0.6043000    
 C    4.543900      -1.861400      0.5134000    
 C   -2.548900      -3.404700     -0.4706000    
 C   -2.211900       3.703900     -0.2579000    
 C    5.972900      6.3699998E-02  0.2151000    
 C   -4.501300      -2.228900      0.3313000    
 C   -3.126700      -2.269500      9.7999997E-02
 C    4.776300     -0.6043000     -4.4799998E-02
 C   -1.046200       2.977300     -1.5200000E-02
 C  -0.1251000      -2.516800     -0.4802000    
 C    2.028100      -2.080300     -2.1800000E-02
 C   0.5783000     -0.3921000     -0.3132000    
 C   -1.857900       1.199800      -1.436100    
 C    5.508200      -2.450500       1.331300    
 C   -3.345900      -4.499500     -0.8058000    
 C   -3.200700       3.178400      -1.089800    
 C    6.937200     -0.5253000       1.033000    
 C   -5.298300      -3.323600     -3.8999999E-03
 C   -4.720500      -4.458900     -0.5722000    
 C    6.704900      -1.782500       1.590900    
 C   -3.023800       1.926200      -1.678600    
 H   -2.537600      -1.413000      0.3963000    
 H    4.063300     -0.1524000     -0.7259000    
 H  -0.2732000       3.374800      0.6380000    
 H    1.095900       1.552900     -5.0000001E-02
 H    3.376300      -3.540400      0.3921000    
 H  -0.8040000      -4.382000     -0.8797000    
 H   -1.743500      0.2518000      -1.951100    
 H    5.339100      -3.429300       1.772800    
 H   -2.908800      -5.389800      -1.250700    
 H   -4.118500       3.723500      -1.291200    
 H    7.879700     -2.7899999E-02   1.243400    
 H   -6.371800      -3.311700      0.1620000    
 H   -5.341200      -5.310600     -0.8349000    
 H    7.456300      -2.242000       2.226400    
 H   -3.785000       1.526600      -2.342000    
 H   -2.661900       4.419400       2.539800    
 H    7.855700      0.8724000      -1.863800    
 H   -4.970600      0.1789000     -0.9548000    


%chk=000122494-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122494

0 1
S -5.692235 -1.178518 0.765557
S 6.021315 1.876091 0.389635
S -1.592593 5.711461 -0.386011
O -5.867811 -0.261100 -0.859183
O 6.410480 2.011540 -1.421829
O -1.989506 5.873221 1.421326
O -2.747472 6.461252 -1.234724
O -0.034995 6.093584 -0.605024
O 7.294171 2.422505 1.224164
O 4.545375 2.489412 0.648917
O -4.804054 -0.272552 1.761812
O -7.179701 -1.670301 1.177289
N -1.121988 -3.695825 -0.195633
N 3.362034 -2.669897 0.238825
N 0.313107 0.870092 -0.108890
N 1.828652 -0.846795 0.076584
N -0.545605 -1.373974 -0.123793
N 1.110121 -3.164558 0.012849
C -0.848846 1.651743 -0.326914
C 4.589528 -1.979961 0.351468
C -2.531728 -3.640687 -0.247220
C -1.823305 3.853897 -0.467196
C 5.954277 -0.000027 0.426929
C -4.680586 -2.626550 0.123974
C -3.286408 -2.522246 0.198630
C 4.683011 -0.564126 0.301350
C -0.694456 3.061912 -0.234036
C -0.170684 -2.691121 -0.091618
C 2.070849 -2.184365 0.106811
C 0.502313 -0.494004 -0.053577
C -2.122371 1.109024 -0.643823
C 5.777831 -2.746800 0.516303
C -3.215593 -4.794717 -0.725954
C -3.099225 3.360997 -0.779142
C 7.150663 -0.710612 0.598477
C -5.394915 -3.739257 -0.343554
C -4.622001 -4.845078 -0.766464
C 7.033826 -2.120492 0.641006
C -3.227273 1.956304 -0.864280
H -2.793151 -1.638821 0.608772
H 3.781257 0.039935 0.187406
H 0.272085 3.526452 -0.005826
H 1.193604 1.382758 0.011252
H 3.395262 -3.692731 0.257607
H -0.691897 -4.622939 -0.256609
H -2.230894 0.028390 -0.724857
H 5.715593 -3.841203 0.554654
H -2.634835 -5.658335 -1.071034
H -3.938551 4.038650 -0.958024
H 8.111260 -0.200453 0.707323
H -6.488021 -3.751321 -0.355387
H -5.121800 -5.745214 -1.136898
H 7.931173 -2.733037 0.771927
H -4.195174 1.500290 -1.094701
H -1.904736 6.841709 1.662678
H 6.531851 2.983585 -1.631421
H -6.737031 0.233914 -0.803205


