%chk=000066568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066568

0 1
 S   -2.140100      -3.266000      2.5599999E-02
 O   -2.334000      -3.719300      -1.533200    
 O  -0.7525000      -3.532000      0.3756000    
 O   -3.225200      -3.844400      0.8025000    
 N   -4.203400       3.229300      0.2420000    
 N   0.9248000       1.106400     -0.5493000    
 N    1.505700      0.9827000      0.5527000    
 N    6.706100     -0.9259000     -0.2556000    
 C   -1.461700      0.7113000     -0.1565000    
 C   -2.756300       1.247000      4.3499999E-02
 C   -1.288400     -0.6825000     -0.1594000    
 C   -2.375600      -1.535700      3.2299999E-02
 C  -0.3790000       1.584900     -0.3476000    
 C   -2.929900       2.640600      4.6300001E-02
 C   -3.839300      0.3734000      0.2344000    
 C   -3.648700      -1.008800      0.2286000    
 C  -0.5697000       2.966900     -0.3416000    
 C   -1.842800       3.493900     -0.1449000    
 C    2.811400      0.5033000      0.3512000    
 C    3.856100       1.403400      0.1669000    
 C    3.049200     -0.8675000      0.3363000    
 C    5.396300     -0.4455000     -5.0299998E-02
 C    5.152000      0.9277000     -3.4400001E-02
 C    4.344900      -1.343200      0.1350000    
 H  -0.3038000      -1.112300     -0.3257000    
 H   -4.854700      0.7241000      0.3905000    
 H   -4.511100      -1.653800      0.3716000    
 H   0.2691000       3.642300     -0.4905000    
 H   -1.974500       4.573100     -0.1432000    
 H   -5.035800       2.678700      0.3859000    
 H   -4.285100       4.238100      0.2363000    
 H   -1.688300      -3.331300      -2.169700    
 H    3.674500       2.474700      0.1784000    
 H    2.236300      -1.574100      0.4810000    
 H    5.962800       1.637400     -0.1779000    
 H    4.522300      -2.415500      0.1246000    
 H    7.469200     -0.2754000     -0.3873000    
 H    6.884600      -1.921300     -0.2647000    


%chk=000066568-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066568

0 1
S -2.519353 -3.138777 -1.434672
O -2.551270 -2.670966 -3.238762
O -1.070695 -3.772197 -1.091185
O -3.870489 -3.975113 -1.118398
N -4.234617 3.180667 0.910370
N 0.829661 0.670968 0.237631
N 1.896931 1.378862 0.552244
N 6.998305 -1.007840 0.014413
C -1.598094 0.609504 0.065548
C -2.909940 1.206109 0.222650
C -1.498886 -0.720769 -0.454434
C -2.664000 -1.395597 -0.776873
C -0.404051 1.345582 0.419733
C -3.004680 2.557708 0.739532
C -4.070002 0.438991 -0.130217
C -3.969122 -0.858908 -0.632130
C -0.546081 2.659259 0.919807
C -1.814656 3.249510 1.074945
C 3.132053 0.706634 0.386674
C 3.290886 -0.643830 -0.055134
C 4.296870 1.464058 0.699749
C 5.734979 -0.441094 0.137852
C 4.565050 -1.205877 -0.176126
C 5.578051 0.907984 0.579153
H -0.506766 -1.166017 -0.569578
H -5.074673 0.859282 -0.012670
H -4.849294 -1.453890 -0.890158
H 0.362589 3.207651 1.185899
H -1.889431 4.271680 1.466418
H -5.110309 2.726096 0.674811
H -4.276514 4.128513 1.274757
H -2.529578 -3.522430 -3.765717
H 2.396296 -1.227234 -0.293010
H 4.160977 2.496802 1.038136
H 4.676683 -2.243840 -0.513660
H 6.463872 1.506307 0.823876
H 7.110172 -1.968053 -0.299256
H 7.834527 -0.475036 0.237180


