%chk=000100524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100524

0 1
 S    1.931500     -0.1437000       2.658800    
 P    1.744000      0.3921000      0.7824000    
 O   0.2281000      0.8327000      0.3870000    
 O    2.494800       1.808600      0.4604000    
 O   -3.428500       2.332600     -0.6224000    
 O   -1.303000       2.681100     -0.1765000    
 N    2.262000     -0.6583000     -0.4039000    
 N   -2.287400       1.917400     -0.3129000    
 C    3.595100      -1.238600     -0.3394000    
 C    4.642700     -0.2032000     -0.7388000    
 C    3.660700      -2.462800      -1.247100    
 C  -0.8554000      8.2000000E-03  0.2384000    
 C   -2.101600      0.5227000     -0.1070000    
 C   -3.026300      -1.709000     -5.6800000E-02
 C  -0.6875000      -1.359200      0.4373000    
 C   -3.189500     -0.3379000     -0.2550000    
 C   -1.775400      -2.219500      0.2892000    
 C   -4.188600      -2.629900     -0.2148000    
 C    2.284300       2.466600     -0.7786000    
 H    3.807100      -1.580600      0.6789000    
 H    2.035000     -0.4189000      -1.368200    
 H    4.700100      0.6128000     -1.2600000E-02
 H    4.433300      0.2254000      -1.725300    
 H    5.637000     -0.6619000     -0.7825000    
 H    3.479300      -2.198300      -2.295200    
 H    4.646300      -2.936800      -1.187100    
 H    2.914900      -3.209700     -0.9526000    
 H   0.2553000      -1.813100      0.7132000    
 H   -4.176600      3.2699998E-02 -0.5222000    
 H   -1.636100      -3.285500      0.4495000    
 H   -4.774500      -2.657300      0.7093000    
 H   -4.837200      -2.304300      -1.035200    
 H   -3.862200      -3.648700     -0.4499000    
 H    2.036200       1.767400      -1.579600    
 H    3.199400       2.999900      -1.047600    
 H    1.475400       3.192000     -0.6647000    


%chk=000100524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100524

0 1
S 2.493008 -0.856029 2.671496
P 1.974206 0.382446 1.116031
O 0.241511 0.864248 0.853736
O 2.525697 1.995235 1.399817
O -2.039051 1.257014 -2.529018
O 0.152749 1.118535 -1.955178
N 2.284280 -0.180255 -0.463670
N -1.099262 0.828512 -1.758081
C 3.367160 -1.126598 -0.834135
C 4.648946 -0.378730 -1.268244
C 2.841878 -2.068681 -1.938316
C -0.749964 -0.075599 0.586348
C -1.471007 -0.058964 -0.642355
C -3.001957 -1.809648 0.148251
C -1.168033 -0.987521 1.586753
C -2.598680 -0.893261 -0.842893
C -2.259805 -1.845450 1.363300
C -4.187064 -2.732018 -0.066589
C 2.255515 3.050883 0.390170
H 3.588766 -1.723804 0.072383
H 1.672452 0.205207 -1.202099
H 5.010288 0.279700 -0.458403
H 4.454064 0.241824 -2.162649
H 5.452183 -1.097483 -1.514398
H 2.573723 -1.498480 -2.848207
H 3.621498 -2.800120 -2.215659
H 1.949684 -2.619372 -1.593418
H -0.624624 -0.997412 2.536422
H -3.140592 -0.813318 -1.790120
H -2.555678 -2.547610 2.151535
H -4.937830 -2.611645 0.736060
H -4.687809 -2.534091 -1.028895
H -3.873273 -3.792672 -0.061919
H 2.546155 2.717905 -0.623553
H 2.884634 3.895726 0.707848
H 1.188932 3.326526 0.406146


