%chk=000068517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068517

0 1
 S   8.0700003E-02  -2.230200      5.3300001E-02
 O    1.389600      -2.706700      0.4622000    
 O  -0.3974000      -2.517400      -1.288200    
 N  -4.4000000E-03 -0.5256000      0.3388000    
 N   -1.081800      -2.847400       1.141600    
 C   -1.217900      0.1989000      0.1364000    
 C    1.238300      0.2091000      0.1349000    
 C   -1.810100      0.2285000      -1.126200    
 C    1.806300      0.8695000       1.205100    
 C   -1.811800      0.8762000       1.201200    
 C    1.807900      0.2204000      -1.121900    
 C   -2.996100      0.9357000      -1.324000    
 C    2.995700       1.571800       1.010200    
 C   -2.997800       1.583300       1.003500    
 C    2.997400      0.9225000      -1.317000    
 C   -3.589900       1.613000     -0.2591000    
 C    3.591100       1.598300     -0.2508000    
 H   -1.357500     -0.2701000      -1.977900    
 H    1.350500      0.8493000       2.190500    
 H   -1.362500      0.8570000       2.190700    
 H    1.354800     -0.2966000      -1.962200    
 H   -3.454300      0.9635000      -2.308300    
 H    3.458500       2.097000       1.840500    
 H   -3.460600       2.110100       1.832900    
 H    3.460600      0.9442000      -2.299100    
 H   -4.512700       2.164500     -0.4133000    
 H    4.517100       2.145100     -0.4026000    
 H   -2.072100      -2.674600      0.9291000    
 H  -0.8617000      -2.808600       2.144400    


%chk=000068517-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068517

0 1
S -0.005664 -2.230186 0.658461
O 1.327220 -2.848021 1.362173
O -0.520654 -2.779595 -0.792497
N 0.056950 0.090154 0.823816
N -1.373357 -2.597585 1.786663
C -1.180629 0.447768 0.208378
C 1.285908 0.537810 0.291758
C -1.465804 0.274429 -1.179996
C 2.481636 0.049464 0.913936
C -2.206899 0.913795 1.079914
C 1.397985 1.526653 -0.740375
C -2.742716 0.600110 -1.680011
C 3.738565 0.512947 0.492864
C -3.472572 1.261982 0.566014
C 2.664162 2.005644 -1.125795
C -3.744257 1.105088 -0.815409
C 3.840516 1.494326 -0.526376
H -0.707122 -0.156735 -1.840405
H 2.395759 -0.701493 1.703980
H -1.972450 1.022739 2.143749
H 0.495539 1.948952 -1.191471
H -2.962628 0.446752 -2.741866
H 4.644145 0.118175 0.965360
H -4.247534 1.646259 1.237908
H 2.735746 2.781741 -1.895793
H -4.732978 1.360218 -1.212138
H 4.822957 1.864139 -0.839047
H -2.287883 -2.371833 1.374282
H -1.204040 -2.242995 2.736622


