%chk=000160826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160826

0 1
 S    6.576200     -0.3682000     -0.1781000    
 O    6.832400     -0.4567000      -1.790500    
 O    7.085500      0.9224000      0.2623000    
 O    7.059400      -1.601000      0.4242000    
 N   -1.430600      0.9102000      0.6245000    
 N   -1.984100      0.8495000     -0.4984000    
 C    2.752300      0.8822000      0.1703000    
 C    2.048200     -0.3373000      0.3134000    
 C    4.840400     -0.3558000      1.0300000E-02
 C    4.148400      0.8557000      1.9800000E-02
 C    2.761100      -1.547200      0.3018000    
 C   0.6521000     -0.3106000      0.4641000    
 C    2.039500       2.092100      0.1820000    
 C   -4.111100     -0.3310000     -0.2013000    
 C    4.148000      -1.554800      0.1512000    
 C  -3.9999999E-02  0.9007000      0.4734000    
 C   -5.516800     -0.2651000     -5.1300000E-02
 C   0.6525000       2.099700      0.3326000    
 C   -3.381100      0.8588000     -0.3460000    
 C   -3.478600      -1.584900     -0.2023000    
 C   -6.149300      0.9887000     -5.0400000E-02
 C   -6.248800      -1.455100      9.3500003E-02
 C   -4.024200       2.096000     -0.3429000    
 C   -5.406500       2.160800     -0.1953000    
 C   -4.221400      -2.756900     -5.7300001E-02
 C   -5.603800      -2.692300      9.0400003E-02
 H    4.688300       1.793200     -9.7800002E-02
 H    2.240200      -2.496500      0.4086000    
 H   9.9799998E-02  -1.242200      0.5769000    
 H    2.559700       3.041500      7.3700003E-02
 H    4.664300      -2.510500      0.1389000    
 H   0.1219000       3.048500      0.3394000    
 H   -2.402000      -1.680000     -0.3205000    
 H   -7.228700       1.063300      6.3500002E-02
 H   -7.330200      -1.428300      0.2102000    
 H   -3.456700       3.016200     -0.4561000    
 H   -5.908100       3.124200     -0.1932000    
 H   -3.720300      -3.720600     -6.1000001E-02
 H   -6.181300      -3.605100      0.2029000    
 H    6.483700      0.3014000      -2.316100    


%chk=000160826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160826

0 1
S 6.760186 -0.399762 -0.005976
O 6.936678 -0.591479 -1.847701
O 7.419925 1.009586 0.437228
O 7.231875 -1.783418 0.689021
N -1.344454 1.519014 0.058081
N -2.075223 0.430717 0.041802
C 2.912846 1.116677 0.006196
C 2.104982 -0.092133 0.024177
C 4.895392 -0.268393 -0.008055
C 4.339135 1.002570 -0.013643
C 2.757702 -1.373901 0.032157
C 0.684673 0.019388 0.040871
C 2.260203 2.394283 0.005713
C -4.308863 -0.544194 0.037511
C 4.147617 -1.477396 0.013955
C 0.068900 1.284765 0.038418
C -5.749978 -0.389893 0.071620
C 0.871194 2.476572 0.022085
C -3.484094 0.648041 0.072725
C -3.756732 -1.863785 -0.029824
C -6.313996 0.924447 0.137686
C -6.581093 -1.559528 0.037924
C -4.080709 1.925698 0.137969
C -5.492100 2.059936 0.170128
C -4.592604 -2.983546 -0.061584
C -6.015469 -2.833442 -0.027324
H 4.975355 1.894351 -0.019294
H 2.143796 -2.280975 0.051178
H 0.055505 -0.876320 0.057031
H 2.870101 3.304129 -0.006926
H 4.659578 -2.443623 0.032600
H 0.351343 3.439543 0.022951
H -2.669235 -1.968323 -0.055785
H -7.405015 1.031755 0.162868
H -7.669951 -1.434246 0.064104
H -3.427865 2.803298 0.163962
H -5.939425 3.058252 0.221297
H -4.158474 -3.988126 -0.113102
H -6.655864 -3.721662 -0.052715
H 7.904459 -0.763879 -2.039928


